Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9700517

COc1ccc(CCNCC(O)COc2ccc(NN)nn2)cc1OC.Cl.Cl

nearest known ligand 0.61

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
ADRB2 known ✓ P07550 4/20 0.57
ADRB1 known ✓ P08588 4/20 0.57
HTR1A known ✓ P08908 1/20 0.57
ADRA2C known ✓ P18825 1/20 0.57
SLC6A4 known ✓ P31645 1/20 0.57
ADRA1A known ✓ P35348 1/20 0.57
HTR2B known ✓ P41595 1/20 0.57
SLC6A3 known ✓ Q01959 1/20 0.57
KCNH2 known ✓ Q12809 1/20 0.57
ADRB3 known ✓ P13945 3/20 0.54
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.55

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
Dramedilol SCHEMBL9699524 0.88 KMT2A (0.56) KMT2AADRB2ADRB1HTR1AADRA2C
Dramedilol SCHEMBL9700551 0.88 KMT2A (0.56) KMT2AADRB2ADRB1HTR1AADRA2C
Dramedilol SCHEMBL2109623 0.87 KMT2A (0.55) KMT2AADRB2ADRB1HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700593 0.85 KMT2A (0.54) KMT2AADRB2ADRB1HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700595 0.85 KMT2A (0.54) KMT2AADRB2ADRB1HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700715 0.83 ADRB2 (0.51) KMT2AADRB2ADRB1HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700719 0.83 ADRB2 (0.51) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL9700562 0.83 ADRB2 (0.53) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL9700545 0.83 ADRB2 (0.53) KMT2AADRB2ADRB1HTR1AADRA2C
Hydrochloric Acid SCHEMBL10568844 0.78 ADRB2 (0.51) KMT2AADRB2ADRB1HTR1AADRA2C

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-5082939-A Pyridazine derivatives I.S.F. SOCIETA PER AZIONI (IT) 1992-01-21 US disclosed
US-4873328-A Process for preparing alkoxyalkylidenehydrazinopyridazine derivatives I.S.F. SOCIETA PER AZIONI (IT) 1989-10-10 US disclosed
EP-0274409-A2 Process for preparing alkoxyalkyl-idenehydrazinopyridazine derivatives I.S.F. Socièta per Azioni (IT) 1988-07-13 EP disclosed