Hydrochloric Acid

Hydrochloric Acid

SCHEMBL295498

COc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2CC(F)CC2C#N)cc1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 20/20 0.98
FAP Q12884 9/20 0.80
DPP7 Q9UHL4 3/20 0.77
DPP8 Q6V1X1 1/20 0.67
DPP9 Q86TI2 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL356162 1.00 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
SCHEMBL3165078 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL6832198 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL6860819 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
SCHEMBL5987446 0.99 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3259953 0.90 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3151403 0.90 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL3151253 0.90 DPP4 (0.98) DPP4FAPDPP7
SCHEMBL3160316 0.89 DPP4 (1.00) DPP4FAPDPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5549130 0.89 DPP4 (0.98) DPP4FAPDPP7DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023095-B2 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2023-11-08 EP disclosed
EP-3366283-A1 DIRECT COMPRESSION FORMULATION AND PROCESS Novartis AG (CH) 2018-08-29 EP disclosed
EP-3023095-B1 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2018-05-16 EP disclosed
EP-3023095-A1 DIRECT COMPRESSION FORMULATION AND PROCESS Novartis AG (CH) 2016-05-25 EP disclosed
EP-2191824-B1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation NOVARTIS AG (CH) 2012-03-14 EP disclosed
EP-2191824-A1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation Novartis AG (CH) 2010-06-02 EP disclosed
EP-2165703-A2 Direct compression formulation and process Novartis Pharma AG. (CH) 2010-03-24 EP disclosed
EP-1898904-B1 MODIFIED RELEASE 1-[(3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL]-PYRROLIDINE-2(S)-CARBONITRILE FORMULATION NOVARTIS AG (CH) 2009-10-07 EP disclosed
EP-2079469-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR PREVENTING, DELAYING OR REDUCING THE OCCURANCE OF EDEMA Novartis AG (CH) 2009-07-22 EP disclosed
EP-1981495-A2 USE OF VILDAGLIPTIN FOR THE TREATMENT OF DIABETES Novartis Pharma AG (CH) 2008-10-22 EP disclosed
EP-1686994-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
EP-1687030-A2 COMBINATION OF A DPP IV INHIBITOR AND AN ANTI-OBESITY OR APPETITE REGULATING AGENT Novartis AG (CH) 2006-08-09 EP disclosed
WO-2006078593-A2 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2006-07-27 WO disclosed
WO-2006047248-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METFORMIN NOVARTIS AG (CH) 2006-05-04 WO disclosed
WO-2006041976-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-04-20 WO disclosed
WO-2006005613-A1 COMBINATION OF DPP-IV INHIBITORS AND COMPOUNDS MODULATING 5-HT3 AND/OR 5-HT4 RECEPTORS NOVARTIS AG (CH) 2006-01-19 WO disclosed
WO-2005117861-A1 USE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-12-15 WO disclosed
WO-2005067976-A2 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2005-07-28 WO disclosed
WO-2005049022-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS NOVARTIS AG (CH) 2005-06-02 WO disclosed
WO-2005049088-A2 COMBINATION OF A DPP IV INHIBITOR AND AN ANTIOBESITY OR APPETITE REGULATING AGENT NOVARTIS AG (CH) 2005-06-02 WO disclosed