SCHEMBL14479317

SCHEMBL14479317

Cn1c(=O)[nH]c2cccc(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)c2c1=O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.76
▸ TRPV4 Q9HBA0 11/20 0.68
▸ TRPV3 Q8NET8 3/20 0.68

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
SCHEMBL13175033 0.88 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL1802630 0.87 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL13075967 0.85 TRPA1 (0.65) TRPA1TRPV4TRPV3
SCHEMBL14479300 0.83 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL14305979 0.83 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL14479318 0.81 TRPA1 (0.77) TRPA1TRPV4TRPV3
SCHEMBL30167897 0.81 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL474789 0.81 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL14227847 0.81 TRPA1 (1.00) TRPA1TRPV4TRPV3
Potassium SCHEMBL16653276 0.80 TRPA1 (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013084153-A1 PHARMACEUTICAL COMPOSITION COMPRISING A TRPA1 ANTAGONIST AND AN ANTICHOLINERGIC AGENT GLENMARK PHARMACEUTICALS S.A. (CH) 2013-06-13 — — WO disclosed
WO-2013014597-A1 PHARMACEUTICAL COMPOSITION COMPRISING A TRPA1 ANTAGONIST AND A STEROID GLENMARK PHARMACEUTICALS SA (CH) 2013-01-31 — — WO disclosed
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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