Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10656331

CCN(CC)CCNC(=O)c1cc(C#N)c(Cl)cc1OC.Cl

nearest known ligand 0.67

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
▸ ADRA2A known ✓ P08913 3/20 0.65
▸ DRD3 known ✓ P35462 3/20 0.65
▸ DRD2 known ✓ P14416 2/20 0.65
▸ HTR2B known ✓ P41595 2/20 0.65
▸ KCNH2 known ✓ Q12809 2/20 0.65
▸ HTR3E known ✓ A5X5Y0 1/20 0.65
▸ HTR3B known ✓ O95264 1/20 0.65
▸ ADRA2C known ✓ P18825 1/20 0.65
▸ DRD4 known ✓ P21917 1/20 0.65
▸ HTR2A known ✓ P28223 1/20 0.65
▸ HTR2C known ✓ P28335 1/20 0.65
▸ HTR3A known ✓ P46098 1/20 0.65
▸ HTR4 known ✓ Q13639 1/20 0.65
▸ HTR3D known ✓ Q70Z44 1/20 0.65
▸ HTR3C known ✓ Q8WXA8 1/20 0.65
▸ HTR1A known ✓ P08908 1/20 0.56
▸ DRD1 known ✓ P21728 1/20 0.56
▸ ACHE known ✓ P22303 1/20 0.56
▸ PTGS1 known ✓ P23219 1/20 0.56
▸ RAB9A P51151 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
SCHEMBL10654942 0.99 ADRA2A (0.67) RAB9AADRA2ACYP2D6DRD3LMNA
Hydrochloric Acid SCHEMBL10660028 0.96 RAB9A (0.71) RAB9AADRA2ACYP2D6DRD3LMNA
SCHEMBL10656903 0.94 ADRA2A (0.70) RAB9AADRA2ACYP2D6DRD3LMNA
Hydrochloric Acid SCHEMBL10657760 0.90 RAB9A (0.54) RAB9AADRA2ACYP2D6DRD3LMNA
SCHEMBL10655240 0.89 ADRA2A (0.54) RAB9AADRA2ACYP2D6DRD3LMNA
SCHEMBL10705150 0.87 ALDH1A1 (0.52) RAB9AADRA2ACYP2D6DRD3LMNA
SCHEMBL10656871 0.87 ADRA2A (0.52) RAB9AADRA2ACYP2D6DRD3LMNA
SCHEMBL10657789 0.86 ADRA2A (0.51) RAB9AADRA2ACYP2D6DRD3LMNA
SCHEMBL10712250 0.85 WNT3A (0.55) RAB9AADRA2ACYP2D6DRD3LMNA
SCHEMBL10658307 0.84 WNT3A (0.51) RAB9AADRA2ACYP2D6DRD3LMNA

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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