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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7146319

C[N+](C)(C)Cc1ccc(C(=O)Oc2ccc(Cl)cc2Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1.[Cl-]

nearest known ligand 0.59

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 6)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.36
▸ NLRP3 Q96P20 2/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER1 P34995 8/20 0.34
▸ APLNR P35414 2/20 0.34
▸ GAA P10253 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
Hydrochloric Acid SCHEMBL7143155 0.93 ABHD6 (0.38) PTGER1
Trimethylammonium SCHEMBL7146317 0.88 PTGER4 (0.37) FAAHNLRP3PTGER4PTGER1GAA
Hydrochloric Acid SCHEMBL7146158 0.85 CHKA (0.42) PTGER1
Hydrochloric Acid SCHEMBL7136338 0.85 PTGER1 (0.46) PTGER1
Hydrochloric Acid SCHEMBL7144634 0.84 PTGER1 (0.37) FAAHPTGER4PTGER1
SCHEMBL8058096 0.83 CETP (0.38) PTGER1GAA
Trimethylammonium SCHEMBL7143152 0.82 ABHD6 (0.38) PTGER4PTGER1
SCHEMBL7511101 0.82 PTGER1 (0.36) PTGER1GAA
SCHEMBL7209116 0.82 GAA (0.38) PTGER1GAA
Hydrochloric Acid SCHEMBL7146271 0.81 PTGER1 (0.39) PTGER1

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
EP-1056730-A4 BENZOATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2003-01-02 — — EP claimed
EP-1056730-A1 BENZOATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE Bristol-Myers Squibb Company (US) 2000-12-06 — — EP claimed
WO-1999038854-A1 BENZOATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-05 — — WO claimed