SCHEMBL3798786

SCHEMBL3798786

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(OC(F)(F)F)c4)cs3)cnnc2n(C)c1=O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.72
TRPV4 Q9HBA0 9/20 0.72
TRPV3 Q8NET8 1/20 0.56

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
SCHEMBL3797771 0.94 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL3791508 0.89 TRPA1 (0.69) TRPA1TRPV4
SCHEMBL3796445 0.88 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL3798207 0.87 TRPA1 (0.78) TRPA1TRPV4TRPV3
SCHEMBL13834363 0.87 TRPA1 (0.71) TRPA1TRPV4TRPV3
SCHEMBL480999 0.86 TRPA1 (0.88) TRPA1TRPV4TRPV3
SCHEMBL12617822 0.86 TRPA1 (0.88) TRPA1TRPV4TRPV3
SCHEMBL1689649 0.86 TRPA1 (0.70) TRPA1TRPV4TRPV3
SCHEMBL10275083 0.85 TRPA1 (0.80) TRPA1TRPV4TRPV3
SCHEMBL13175225 0.85 TRPA1 (0.72) 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-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO claimed