Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7566412

COc1ccc2c(ccc[n+]2CCCCN)c1.[Cl-]

nearest known ligand 0.58

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 2)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 14/20 0.58
▸ BCHE P06276 10/20 0.47

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
SCHEMBL30914704 0.94 ACHE (0.60) ACHEBCHE
Bromide SCHEMBL29389671 0.84 KDM4E (0.61) ACHEBCHE
Iodide SCHEMBL17187192 0.84 KDM4E (0.65) ACHEBCHE
Iodide SCHEMBL10815828 0.80 ACHE (0.66) ACHEBCHE
Bromide SCHEMBL6865008 0.80 ACHE (0.56) ACHEBCHE
Hydrochloric Acid SCHEMBL6231073 0.80 ACHE (0.67) ACHEBCHE
SCHEMBL17187153 0.80 ACHE (0.53) ACHEBCHE
Bromide SCHEMBL17187182 0.79 ACHE (0.55) ACHEBCHE
SCHEMBL22034130 0.78 ACHE (0.68) ACHEBCHE
SCHEMBL146423 0.78 ACHE (0.54) ACHEBCHE

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
WO-2002080842-A2 MEDICAMENT AND METHOD FOR DIAGNOSING AN AUTOIMMUNE CONDITION_IN PARTICULAR PSORIASIS ESTETECON AB (SE) 2002-10-17 — — WO disclosed
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