SCHEMBL14972731

SCHEMBL14972731

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(F)c4C(F)(F)F)cs3)csc2n(C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.77
TRPV4 Q9HBA0 12/20 0.77
TRPV3 Q8NET8 2/20 0.77

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
SCHEMBL474581 0.89 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL1803050 0.87 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL474789 0.87 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL30167897 0.87 TRPA1 (1.00) TRPA1TRPV4TRPV3
Potassium SCHEMBL16653276 0.86 TRPA1 (0.98) TRPA1TRPV4TRPV3
SCHEMBL16653275 0.86 TRPA1 (0.98) TRPA1TRPV4TRPV3
SCHEMBL18813640 0.86 TRPA1 (0.98) TRPA1TRPV4TRPV3
SCHEMBL474659 0.86 TRPA1 (0.98) TRPA1TRPV4TRPV3
SCHEMBL474596 0.85 TRPA1 (0.78) TRPA1TRPV4TRPV3
SCHEMBL14227824 0.85 TRPA1 (0.86) 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
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed