SCHEMBL13175221

SCHEMBL13175221

Cn1c(=O)[nH]c2scc(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.70
▸ TRPV4 Q9HBA0 9/20 0.68
▸ TRPV3 Q8NET8 1/20 0.53

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
SCHEMBL13834193 0.86 TRPA1 (0.79) TRPA1TRPV4TRPV3
SCHEMBL13175063 0.86 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL13076682 0.84 TRPA1 (0.68) TRPA1TRPV4TRPV3
SCHEMBL13076702 0.84 TRPA1 (0.66) TRPA1TRPV4TRPV3
SCHEMBL12618309 0.82 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL13076328 0.82 TRPA1 (0.69) TRPA1TRPV4
SCHEMBL13175031 0.81 TRPA1 (0.59) TRPA1TRPV4
SCHEMBL10275162 0.81 TRPA1 (0.80) TRPA1TRPV4TRPV3
SCHEMBL3797771 0.81 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL13076697 0.81 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-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
Send feedback