Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10890862

C#Cc1ccccc1OCC(O)CNC(C)(C)COc1ccc(NN)nn1.Cl

nearest known ligand 0.47

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 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A known ✓ P08908 1/20 0.47
▸ ADRA2A known ✓ P08913 1/20 0.47
▸ ADRA2B known ✓ P18089 1/20 0.47
▸ MAOA known ✓ P21397 1/20 0.47
▸ HTR2B known ✓ P41595 1/20 0.47
▸ CASR known ✓ P41180 8/20 0.44
▸ ADRB2 known ✓ P07550 4/20 0.44
▸ SLC6A2 known ✓ P23975 3/20 0.44
▸ SLC6A4 known ✓ P31645 3/20 0.44
▸ SLC6A3 known ✓ Q01959 3/20 0.44
▸ KCNH2 known ✓ Q12809 3/20 0.44
▸ ADRB3 known ✓ P13945 1/20 0.44
▸ ADRB1 known ✓ P08588 1/20 0.39
▸ GRK3 P35626 2/20 0.44
▸ CYP2D6 P10635 6/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL10891179 0.99 HTR1A (0.47) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10891439 0.91 HTR1A (0.60) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10893417 0.90 HTR1A (0.61) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10889340 0.88 CASR (0.52) GRK3CASRCYP2D6ADRB2SLC6A2
SCHEMBL10893787 0.87 HTR1A (0.48) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10893868 0.87 ALOX15 (0.48) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL10893836 0.87 CASR (0.53) GRK3CASRCYP2D6ADRB2SLC6A2
Hydrochloric Acid SCHEMBL10888073 0.87 GRK3 (0.49) GRK3CASRCYP2D6ADRB2ADRB3
Hydrochloric Acid SCHEMBL10891112 0.86 MAPT (0.49) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL10886584 0.86 GRK3 (0.46) HTR1AADRA2AADRA2BMAOAHTR2B

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
US-4599333-A HYPOTENSIVE AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1986-07-08 — — US disclosed
US-4586982-A Process for the de-inking of printed waste paper AKZONA INCORPORATED (US) 1986-05-06 — — US disclosed
EP-0097202-A1 Hydrazinopyridazine compound, process for production thereof, and use thereof as medicament TEIKOKU HORMONE MFG. CO., LTD. (JP) 1984-01-04 — — EP disclosed
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