SCHEMBL13189586

SCHEMBL13189586

CCCCCOc1ccc(-c2csc(NC(=O)Cc3coc4c3c(=O)n(C)c(=O)n4C)n2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.72
▸ TRPV4 Q9HBA0 8/20 0.59

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
SCHEMBL13189975 0.91 TRPA1 (0.63) TRPA1TRPV4
SCHEMBL10315922 0.91 TRPA1 (0.80) TRPA1TRPV4
SCHEMBL10275290 0.90 TRPA1 (0.76) TRPA1TRPV4
SCHEMBL10275318 0.90 TRPA1 (0.81) TRPA1TRPV4
SCHEMBL10275162 0.88 TRPA1 (0.80) TRPA1TRPV4
SCHEMBL10275314 0.88 TRPA1 (0.75) TRPA1TRPV4
SCHEMBL10315936 0.87 TRPA1 (0.81) TRPA1TRPV4
SCHEMBL10275142 0.87 TRPA1 (0.84) TRPA1TRPV4
SCHEMBL10315992 0.85 TRPA1 (0.79) TRPA1TRPV4
SCHEMBL10275308 0.84 TRPA1 (1.00) TRPA1TRPV4

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-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
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