SCHEMBL13189975

SCHEMBL13189975

CCCCCOc1ccc(-c2csc(NC(=O)Cc3coc4c3c(=O)n(C)c(=O)n4C)n2)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.63
▸ TRPV4 Q9HBA0 5/20 0.56
▸ TRPV3 Q8NET8 1/20 0.49

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
SCHEMBL13189586 0.91 TRPA1 (0.72) TRPA1TRPV4
SCHEMBL10275708 0.90 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL10275441 0.89 TRPA1 (0.74) TRPA1TRPV4TRPV3
SCHEMBL10275155 0.89 TRPA1 (0.73) TRPA1TRPV4TRPV3
SCHEMBL10276153 0.87 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL10275057 0.85 TRPA1 (0.80) TRPA1TRPV4
SCHEMBL10315922 0.85 TRPA1 (0.80) TRPA1TRPV4
SCHEMBL10315992 0.85 TRPA1 (0.79) TRPA1TRPV4TRPV3
SCHEMBL10315936 0.82 TRPA1 (0.81) TRPA1TRPV4
SCHEMBL10275318 0.81 TRPA1 (0.81) 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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