Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6703991

CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.Cl.Cl

nearest known ligand 0.49

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 14)

geneUniProtsupporting neighboursconfidence
▸ GLA known ✓ P06280 1/20 0.40
▸ NPY4R P50391 16/20 0.49
▸ NPY1R P25929 10/20 0.49
▸ NPY5R Q15761 9/20 0.49
▸ NPY2R P49146 6/20 0.49
▸ PDF Q9HBH1 1/20 0.45
▸ SSTR3 P32745 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 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 SCHEMBL1259758 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL1694104 0.99 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL1694377 0.99 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL4799804 0.99 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL8089028 0.91 PDF (0.47) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL11374268 0.87 PDF (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL8723156 0.87 PDF (0.52) NPY4RNPY1RNPY5RNPY2RPDF
Hydrochloric Acid SCHEMBL3481900 0.87 PDF (0.60) PDFSSTR3MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8853773 0.87 PDF (0.60) PDFSSTR3MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3482618 0.87 PDF (0.60) PDFSSTR3MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006217-A1 Comprises coagulation factor VIIa/VII receptor for treatment and prevention of thrombosis, septic shock and adult respiratory distress syndrome (ARDS); anticoagulants; thrombolytic agents GENENTECH, INC. (US) 2004-01-08 — — US disclosed
US-6596847-B2 Tissue protein for use in ther treatment of stroke, thrombosis, septic shock, adult respiratory distress syndrome, hypotension and cancer GENENTECH, INC. 2003-07-22 — — US disclosed
US-20020142373-A1 TISSUE FACTOR PROTEIN VARIANTS GENENTECH, INC. 2002-10-03 — — US disclosed
EP-1105475-A1 TISSUE FACTOR PROTEIN VARIANTS WITH INCREASED AFFINITY FOR COAGULATION FACTOR FVII/FVIIA Genentech, Inc. (US) 2001-06-13 — — EP disclosed
WO-2000004148-A1 TISSUE FACTOR PROTEIN VARIANTS WITH INCREASED AFFINITY FOR COAGULATION FACTOR FVII/FVIIA GENENTECH, INC. (US) 2000-01-27 — — WO disclosed
US-5667979-A PROTEASE LABORATORIOS LETI S.A. (ES) 1997-09-16 — — US disclosed
EP-0377229-B1 Use of specific properties of allergens from animal sources and methods for their isolation LETI LAB (ES) 1996-06-26 — — EP disclosed
EP-0377229-A1 Use of specific properties of allergens from animal sources and methods for their isolation C.B.F. LETI, S.A. (ES) 1990-07-11 — — EP disclosed
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