Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8378178

COC(=O)N(CCN)c1cccc(Cl)c1C.Cl

nearest known ligand 0.42

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
▸ ADRB2 known ✓ P07550 1/20 0.33
▸ HTR1A known ✓ P08908 1/20 0.33
▸ ADRA2A known ✓ P08913 1/20 0.33
▸ CHRM1 known ✓ P11229 1/20 0.33
▸ ADRB3 known ✓ P13945 1/20 0.33
▸ DRD2 known ✓ P14416 1/20 0.33
▸ ADRA2C known ✓ P18825 1/20 0.33
▸ DRD1 known ✓ P21728 1/20 0.33
▸ SLC6A2 known ✓ P23975 1/20 0.33
▸ HRH2 known ✓ P25021 1/20 0.33
▸ ADRA1D known ✓ P25100 1/20 0.33
▸ HTR2A known ✓ P28223 1/20 0.33
▸ HTR2C known ✓ P28335 1/20 0.33
▸ ADRA1A known ✓ P35348 1/20 0.33
▸ ADRA1B known ✓ P35368 1/20 0.33
▸ OPRM1 known ✓ P35372 1/20 0.33
▸ DRD3 known ✓ P35462 1/20 0.33
▸ OPRD1 known ✓ P41143 1/20 0.33
▸ OPRK1 known ✓ P41145 1/20 0.33
▸ HTR2B known ✓ P41595 1/20 0.33

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
SCHEMBL9514900 0.69 ALDH1A1 (0.43) NPSR1ALDH1A1TSHRMAPTLMNA
SCHEMBL9419140 0.69 LMNA (0.44) NPSR1ALDH1A1TSHRMAPTCYP3A4
SCHEMBL28168927 0.69 TP53 (0.46) ALDH1A1TSHRCYP3A4LMNAMEN1
SCHEMBL7838834 0.67 BCL2A1 (0.44) NPSR1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL20195488 0.65 LMNA (0.43) NPSR1ALDH1A1TSHRMAPTCYP3A4
SCHEMBL1027463 0.64 TDP1 (0.46) NPSR1ALDH1A1TSHRMAPTCYP3A4
SCHEMBL2089199 0.63 MAPT (0.41) NPSR1ALDH1A1TSHRMAPTCYP3A4
SCHEMBL11502164 0.63 BCL2A1 (0.40) NPSR1ALDH1A1TSHRMAPTLMNA
SCHEMBL25774606 0.63 BCL2A1 (0.40) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL2089203 0.63 MEN1 (0.46) NPSR1ALDH1A1TSHRMAPTCYP3A4

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-5885995-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-03-23 — — US disclosed
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