Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11196296

Cl.Cl.c1cc(CN2CCCC2)ccc1CN1CCCC1

nearest known ligand 0.90

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 13)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 5/20 0.90
HRH4 Q9H3N8 1/20 0.77
ALDH1A1 P00352 4/20 0.74
KDM4E B2RXH2 2/20 0.74
MBTD1 Q05BQ5 1/20 0.71
L3MBTL3 Q96JM7 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
NCF1 P14598 1/20 0.65
CXCR4 P61073 2/20 0.64
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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 SCHEMBL7468055 0.97 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL11201497 0.97 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL4277270 0.94 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL7281619 0.91 ALDH1A1 (0.91) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL2334519 0.91 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL6057527 0.90 HRH3 (0.81) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL7405362 0.89 ALDH1A1 (0.96) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL5529448 0.89 ALDH1A1 (0.92) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL28582354 0.89 HRH3 (0.71) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL5521932 0.89 ALDH1A1 (0.92) HRH3HRH4ALDH1A1KDM4EMBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4414220-A HUPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1983-11-08 US disclosed
US-4333932-A DIHYDROISOINDOLES, HYPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1982-06-08 US disclosed
EP-0010896-B1 ORGANIC DIAMINE COMPOUNDS FOR USE AS ORAL HYPOGLYCEMIC AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1981-12-30 EP disclosed
US-4220650-A HYPOGLYCEMIC PFIZER INC. (US) 1980-09-02 US disclosed
EP-0010896-A1 Organic diamine compounds for use as oral hypoglycemic agents and pharmaceutical compositions thereof PFIZER INC. (US) 1980-05-14 EP disclosed