SCHEMBL3796445

SCHEMBL3796445

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

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.81
TRPV4 Q9HBA0 9/20 0.81
TRPV3 Q8NET8 1/20 0.58

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
SCHEMBL3791508 0.92 TRPA1 (0.69) TRPA1TRPV4
SCHEMBL3797553 0.90 TRPA1 (0.73) TRPA1TRPV4TRPV3
SCHEMBL14227846 0.90 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL3797771 0.89 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL9933398 0.88 TRPA1 (0.79) TRPA1TRPV4TRPV3
SCHEMBL3798786 0.88 TRPA1 (0.72) TRPA1TRPV4TRPV3
SCHEMBL13075836 0.88 TRPA1 (0.77) TRPA1TRPV4TRPV3
SCHEMBL13076337 0.88 TRPA1 (0.74) TRPA1TRPV4TRPV3
SCHEMBL3798206 0.86 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL1802300 0.86 TRPA1 (1.00) 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