Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7207455

CCOc1ccc([C@@H]2CN(C)CC[C@@H]2N)cc1OCC.Cl.Cl

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 4/20 0.41
CACNA1F known ✓ O60840 2/20 0.39
CACNA1D known ✓ Q01668 2/20 0.39
CACNA1S known ✓ Q13698 2/20 0.39
CACNA1C known ✓ Q13936 2/20 0.39
HRH3 known ✓ Q9Y5N1 1/20 0.38
SLC6A2 known ✓ P23975 1/20 0.36
SLC6A4 known ✓ P31645 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
GLA known ✓ P06280 1/20 0.36
GAA known ✓ P10253 1/20 0.35
KDM1A O60341 2/20 0.48
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
BRCA1 P38398 2/20 0.40
KMT2A Q03164 2/20 0.40

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 SCHEMBL7207453 1.00 KDM1A (0.48) KDM1ADPP4MAPTMEN1USP2
Hydrochloric Acid SCHEMBL7207450 1.00 KDM1A (0.48) KDM1ADPP4MAPTMEN1USP2
SCHEMBL7203249 0.99 KDM1A (0.49) KDM1ADPP4MAPTMEN1USP2
SCHEMBL7203255 0.99 KDM1A (0.49) KDM1ADPP4MAPTMEN1USP2
SCHEMBL7203258 0.99 KDM1A (0.49) KDM1ADPP4MAPTMEN1USP2
Hydrochloric Acid SCHEMBL7205705 0.94 DPP4 (0.49) KDM1ADPP4MAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7205700 0.94 DPP4 (0.49) KDM1ADPP4MAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7205702 0.94 DPP4 (0.49) KDM1ADPP4MAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6438947 0.94 DPP4 (0.49) KDM1ADPP4MEN1KMT2A
Hydrochloric Acid SCHEMBL6438943 0.94 DPP4 (0.49) KDM1ADPP4MEN1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937074-B1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS ALTANA PHARMA AG (DE) 2003-03-12 EP claimed
EP-0937074-A1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-08-25 EP claimed
WO-1998021208-A1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-05-22 WO claimed
EP-0968211-B1 TETRAZOLE DERIVATIVES ALTANA PHARMA AG (DE) 2003-08-27 EP disclosed
EP-0937074-B1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS ALTANA PHARMA AG (DE) 2003-03-12 EP disclosed
CN-1090188-C Benzonaphthyridines as inhibitors of HIV BYK GULDEN LOMBERG CHEM FAB (DE) 2002-09-04 CN disclosed
US-6143759-A ANTIINFLAMMATORY AGENTS AND ANTICOAGULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-11-07 US disclosed
EP-0968211-A1 NOVEL TETRAZOLES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-01-05 EP disclosed
US-6008215-A TREATING INFLAMMATORY AIRWAY DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-28 US disclosed
CN-1236367-A Benzonaphthyridines as bronchial therapeutics BYK GULDEN LOMBERG CHEM FAB (DE) 1999-11-24 CN disclosed
EP-0937074-A1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-08-25 EP disclosed
WO-1998040382-A1 NOVEL TETRAZOLES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-09-17 WO disclosed
WO-1998021208-A1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-05-22 WO disclosed