Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7285755

Cl.Cl.N=C(N)c1ccc2cc(OC(=O)c3ccc(CN)o3)ccc2c1

nearest known ligand 0.60

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
ITGB3 known ✓ P05106 1/20 0.52
CHRM2 known ✓ P08172 1/20 0.52
ITGA2B known ✓ P08514 1/20 0.52
CHRM1 known ✓ P11229 1/20 0.52
DRD2 known ✓ P14416 1/20 0.52
ADRA2B known ✓ P18089 1/20 0.52
ADRA2C known ✓ P18825 1/20 0.52
CHRM3 known ✓ P20309 1/20 0.52
MAOA known ✓ P21397 1/20 0.52
SLC6A4 known ✓ P31645 1/20 0.52
ADRA1A known ✓ P35348 1/20 0.52
DRD3 known ✓ P35462 1/20 0.52
OPRK1 known ✓ P41145 1/20 0.52
HTR2B known ✓ P41595 1/20 0.52
HTR3A known ✓ P46098 1/20 0.52
SLC6A3 known ✓ Q01959 1/20 0.52
KCNH2 known ✓ Q12809 1/20 0.52
GHSR known ✓ Q92847 1/20 0.52
HRH3 known ✓ Q9Y5N1 1/20 0.52
PRSS1 P07477 16/20 0.60

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
Bromide SCHEMBL7289206 0.98 PRSS1 (0.60) PRSS1TMPRSS15F12TMPRSS2MLNR
SCHEMBL10851681 0.85 PRSS1 (0.57) PRSS1TMPRSS15F12TMPRSS2MLNR
Hydrochloric Acid SCHEMBL7286807 0.83 PRSS1 (0.57) PRSS1TMPRSS15
Hydrochloric Acid SCHEMBL7280017 0.83 PRSS1 (0.52) PRSS1TMPRSS15F12
SCHEMBL7340925 0.82 F12 (0.66) PRSS1F12TMPRSS2MLNRALDH1A1
Hydrochloric Acid SCHEMBL7278908 0.82 PRSS1 (0.53) PRSS1TMPRSS15
Hydrochloric Acid SCHEMBL7286666 0.82 PRSS1 (0.52) PRSS1TMPRSS15F12
Hydrochloric Acid SCHEMBL7286152 0.81 PRSS1 (0.51) PRSS1TMPRSS15F12
Hydrochloric Acid SCHEMBL7284772 0.81 PRSS1 (0.59) PRSS1TMPRSS15
SCHEMBL10746823 0.81 PRSS1 (0.55) PRSS1TMPRSS15F12F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532267-A Amidinonaphthyl furancarboxylate derivatives and acid addition salts therof TORII & CO., LTD. (JP) 1996-07-02 US disclosed
EP-0556024-B1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO LTD (JP) 1995-08-02 EP disclosed
EP-0556024-A1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO., LTD. (JP) 1993-08-18 EP disclosed