Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11060253

C[N+]1(CCCOc2cc3c(cc2Cl)CCC(=O)N3)CCC(c2ccccc2)CC1.[Cl-]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.42
MAOA P21397 10/20 0.38
MAOB P27338 10/20 0.38
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
DRD2 P14416 3/20 0.37
TRPV1 Q8NER1 2/20 0.35

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 SCHEMBL11070160 0.84 MAOB (0.57) MAOAMAOBDRD2
Iodide SCHEMBL11071817 0.82 SLC18A3 (0.46) SLC18A3MAOAMAOBCYP19A1CYP11B1
Iodide SCHEMBL11067095 0.82 MAOB (0.57) MAOAMAOBDRD2
Iodide SCHEMBL11068796 0.79 SLC18A3 (0.45) SLC18A3DRD2
Iodide SCHEMBL11071122 0.77 MAOB (0.53) MAOAMAOBDRD2
Hydrochloric Acid SCHEMBL11065317 0.76 MAOB (0.51) MAOAMAOBDRD2
Iodide SCHEMBL11063822 0.76 MAOB (0.48) MAOAMAOBDRD2
Hydrochloric Acid SCHEMBL11076015 0.74 MAOB (0.48) MAOAMAOBDRD2
Hydrochloric Acid SCHEMBL11066425 0.73 ADRB2 (0.39) SLC18A3DRD2
Hydrochloric Acid SCHEMBL11063001 0.72 MAOB (0.65) MAOAMAOBDRD2

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed