SCHEMBL13076890

SCHEMBL13076890

Cn1c(=O)[nH]c2ccnc(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)c2c1=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.62
▸ TRPV4 Q9HBA0 10/20 0.62

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
SCHEMBL13076680 0.94 TRPA1 (0.67) TRPA1TRPV4
SCHEMBL13075969 0.92 TRPA1 (0.62) TRPA1TRPV4
SCHEMBL13076876 0.91 WNT3A (0.56) TRPA1TRPV4
SCHEMBL13076881 0.90 TRPA1 (0.56) TRPA1TRPV4
SCHEMBL13075868 0.90 TRPA1 (0.63) TRPA1TRPV4
SCHEMBL13075973 0.89 TRPA1 (0.61) TRPA1TRPV4
SCHEMBL13075960 0.89 TRPA1 (0.69) TRPA1TRPV4
SCHEMBL13076682 0.87 TRPA1 (0.68) TRPA1TRPV4
SCHEMBL13076323 0.86 TRPA1 (0.56) TRPA1TRPV4
SCHEMBL13075853 0.86 TRPA1 (0.54) 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-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 — — WO disclosed
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