Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10657811

CCNCCNC(=O)c1cc(C#N)c(Cl)cc1OC.Cl

nearest known ligand 0.52

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
▸ HTR4 known ✓ Q13639 4/20 0.45
▸ HTR3E known ✓ A5X5Y0 1/20 0.45
▸ HTR3B known ✓ O95264 1/20 0.45
▸ ADRA2A known ✓ P08913 1/20 0.45
▸ DRD2 known ✓ P14416 1/20 0.45
▸ ADRA2C known ✓ P18825 1/20 0.45
▸ DRD4 known ✓ P21917 1/20 0.45
▸ HTR2A known ✓ P28223 1/20 0.45
▸ HTR2C known ✓ P28335 1/20 0.45
▸ DRD3 known ✓ P35462 1/20 0.45
▸ HTR2B known ✓ P41595 1/20 0.45
▸ HTR3A known ✓ P46098 1/20 0.45
▸ KCNH2 known ✓ Q12809 1/20 0.45
▸ HTR3D known ✓ Q70Z44 1/20 0.45
▸ HTR3C known ✓ Q8WXA8 1/20 0.45
▸ ACHE known ✓ P22303 1/20 0.42
▸ WNT3A P56704 1/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.52
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 2/20 0.45

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
SCHEMBL10704060 0.91 WNT3A (0.52) WNT3ATNKS2RAB9AHTR4LMNA
SCHEMBL10658698 0.84 WNT3A (0.55) WNT3ATNKS2RAB9AHTR4LMNA
SCHEMBL10712250 0.84 WNT3A (0.55) WNT3ATNKS2RAB9AHTR4LMNA
Hydrochloric Acid SCHEMBL10656331 0.84 RAB9A (0.67) WNT3ATNKS2RAB9AHTR4LMNA
SCHEMBL10704054 0.84 WNT3A (0.52) WNT3ATNKS2RAB9AHTR4LMNA
SCHEMBL10656139 0.83 WNT3A (0.50) WNT3ATNKS2RAB9AHTR4LMNA
SCHEMBL10654942 0.83 ADRA2A (0.67) WNT3ATNKS2RAB9AHTR4LMNA
SCHEMBL10657794 0.81 WNT3A (0.49) WNT3ATNKS2RAB9AHTR4LMNA
SCHEMBL10653817 0.81 WNT3A (0.49) WNT3ATNKS2RAB9AALDH1A1L3MBTL1
SCHEMBL10704073 0.80 WNT3A (0.47) WNT3ATNKS2RAB9AHTR4LMNA

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
EP-0183190-B1 BENZAMIDES AND SALTS CIBA-GEIGY AG (CH) 1988-12-28 — — EP disclosed
US-4772630-A ANTIDEPRESSANTS, ANTISCHIZOPHRENIA CIBA-GEIGY CORP. (US) 1988-09-20 — — US disclosed
EP-0183190-A1 Benzamides and salts CIBA-GEIGY AG (CH) 1986-06-04 — — EP disclosed
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