SCHEMBL13175064

SCHEMBL13175064

Cn1c(=O)[nH]c2scc(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)cc4F)cs3)c2c1=O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.69
▸ TRPV4 Q9HBA0 11/20 0.69
▸ TRPV3 Q8NET8 3/20 0.57

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
SCHEMBL13190347 0.88 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL13076325 0.88 TRPA1 (0.69) TRPA1TRPV4TRPV3
SCHEMBL13175033 0.87 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL13174944 0.86 TRPA1 (0.69) TRPA1TRPV4TRPV3
SCHEMBL474596 0.85 TRPA1 (0.78) TRPA1TRPV4TRPV3
SCHEMBL13175063 0.85 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL13175065 0.84 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL13075861 0.84 TRPA1 (0.65) TRPA1TRPV4TRPV3
SCHEMBL1799958 0.82 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL13175221 0.81 TRPA1 (0.70) 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-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
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