Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11720708

CCN(CC)CCC(C(=O)NC)(c1ccccc1)c1ccccc1.Cl

nearest known ligand 0.54

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
SIGMAR1 known ✓ Q99720 2/20 0.52
SCN1A known ✓ P35498 1/20 0.52
SCN2A known ✓ Q99250 1/20 0.52
SCN3A known ✓ Q9NY46 1/20 0.52
CHRM2 known ✓ P08172 6/20 0.51
CHRM1 known ✓ P11229 5/20 0.51
CHRM3 known ✓ P20309 5/20 0.51
OPRM1 known ✓ P35372 3/20 0.50
DRD3 known ✓ P35462 2/20 0.50
DRD2 known ✓ P14416 1/20 0.50
DRD4 known ✓ P21917 2/20 0.47
CHRM4 known ✓ P08173 3/20 0.46
CHRM5 known ✓ P08912 1/20 0.46
BCHE known ✓ P06276 1/20 0.44
ADRA2A known ✓ P08913 1/20 0.42
ADRA2B known ✓ P18089 1/20 0.42
ADRA2C known ✓ P18825 1/20 0.42
HRH2 known ✓ P25021 1/20 0.42
SLC6A4 known ✓ P31645 1/20 0.42
ADRA1A known ✓ P35348 1/20 0.42

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 SCHEMBL11720658 0.87 OPRM1 (0.47) CYP3A4CYP2D6MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11807083 0.84 CYP3A4 (0.59) CYP3A4CYP2D6MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11719547 0.83 KDM4E (0.43) CYP3A4CYP2D6MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11722933 0.81 KCNH2 (0.55) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL3900689 0.80 OPRM1 (0.58) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL25340140 0.80 OPRM1 (0.46) CYP3A4CYP2D6MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL2204861 0.77 SIGMAR1 (0.61) CYP3A4CYP2D6MEN1KMT2ALMNA
SCHEMBL7170152 0.76 OPRM1 (0.49) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL27419662 0.76 OPRM1 (0.46) CYP2D6MEN1KMT2ALMNACYP2C19
SCHEMBL10925815 0.75 CYP3A4 (0.51) CYP3A4CYP2D6MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4017630-A Certain diphenylalkanoamides used as bird and murine repellents THE UPJOHN COMPANY (US) 1977-04-12 US disclosed