SCHEMBL13076702

SCHEMBL13076702

Cn1c(=O)[nH]c2cnnc(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.66
▸ TRPV4 Q9HBA0 12/20 0.66
▸ TRPV3 Q8NET8 1/20 0.51

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
SCHEMBL13076682 0.89 TRPA1 (0.68) TRPA1TRPV4TRPV3
SCHEMBL13175221 0.84 TRPA1 (0.70) TRPA1TRPV4TRPV3
SCHEMBL3797771 0.82 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL13076878 0.81 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL13076323 0.81 TRPA1 (0.56) TRPA1TRPV4
SCHEMBL13075967 0.80 TRPA1 (0.65) TRPA1TRPV4TRPV3
SCHEMBL14227848 0.80 TRPA1 (0.78) TRPA1TRPV4TRPV3
SCHEMBL13075862 0.80 TRPA1 (0.62) TRPA1TRPV4TRPV3
SCHEMBL1689586 0.79 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL12323473 0.79 TRPA1 (0.61) 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 disclosed
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