SCHEMBL14479301

SCHEMBL14479301

Cn1c(=O)[nH]c2cccc(CC(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)c2c1=O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.74
▸ TRPV4 Q9HBA0 7/20 0.63
▸ TRPV3 Q8NET8 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
SCHEMBL14479300 0.92 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL1802918 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL14479318 0.81 TRPA1 (0.77) TRPA1TRPV4TRPV3
SCHEMBL1797349 0.80 TRPA1 (0.82) TRPA1TRPV4TRPV3
SCHEMBL14479317 0.79 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL12652521 0.78 TRPA1 (0.61) TRPA1TRPV4
SCHEMBL14672007 0.78 TRPA1 (0.71) TRPA1TRPV4TRPV3
SCHEMBL1801930 0.78 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL12618019 0.77 TRPA1 (0.59) TRPA1TRPV4
SCHEMBL12292216 0.76 TRPA1 (0.50) TRPA1TRPV4TRPV3

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-2012176105-A1 PHARMACEUTICAL COMPOSITION COMPRISING A TRPA1 ANTAGONIST AND A LEUKOTRIENE RECEPTOR ANTAGONIST GLENMARK PHARMACEUTICALS SA (CH) 2012-12-27 — — WO disclosed
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