Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7320931

Cl.Cl.N#Cc1ccccc1N1CCN(CCc2nnc(N)s2)CC1

nearest known ligand 0.51

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 10)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 3/20 0.43
ADRA1A known ✓ P35348 3/20 0.43
ADRA1B known ✓ P35368 3/20 0.43
HTR7 known ✓ P34969 2/20 0.43
ADRA1D known ✓ P25100 2/20 0.43
DRD4 known ✓ P21917 3/20 0.42
DRD2 known ✓ P14416 2/20 0.42
HTR1B known ✓ P28222 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.41

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 SCHEMBL7318616 0.83 L3MBTL1 (0.53) L3MBTL1ADRA1AADRA1BADRA1DDRD4
Hydrochloric Acid SCHEMBL7322789 0.81 GRIN2B (0.53) L3MBTL1HTR1AADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7326427 0.80 L3MBTL1 (0.58) L3MBTL1HTR1AHTR7DRD4DRD2
Hydrochloric Acid SCHEMBL7323102 0.79 L3MBTL1 (0.48) L3MBTL1HTR1AHTR7DRD4DRD2
Hydrochloric Acid SCHEMBL7322541 0.77 L3MBTL1 (0.48) L3MBTL1HTR1AADRA1AHTR7DRD4
Hydrochloric Acid SCHEMBL7318440 0.75 L3MBTL1 (0.58) L3MBTL1HTR1AADRA1AHTR7DRD4
Hydrochloric Acid SCHEMBL7321416 0.75 L3MBTL1 (0.58) L3MBTL1HTR1AADRA1AHTR7DRD4
Hydrochloric Acid SCHEMBL7321381 0.73 SIGMAR1 (0.56) L3MBTL1HTR1AHTR7DRD4DRD2
Hydrochloric Acid SCHEMBL7320906 0.73 DRD2 (0.48) HTR1AHTR7DRD4DRD2
Hydrochloric Acid SCHEMBL7327180 0.72 SIGMAR1 (0.57) L3MBTL1HTR1AHTR7DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592453-B1 AMINOALKYL-SUBSTITUTED 2-AMINO-1,3,4-THIADIAZOLES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 1998-12-16 EP disclosed
US-5424312-A Treating central nervous system disorders, high blood pressure BASF AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
EP-0592453-A1 AMINOALKYL-SUBSTITUTED 2-AMINO-1,3,4-THIADIAZOLES, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1994-04-20 EP disclosed
WO-1992022541-A1 AMINOALKYL-SUBSTITUTED 2-AMINO-1,3,4-THIADIAZOLES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1992-12-23 WO disclosed