SCHEMBL13076333

SCHEMBL13076333

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(C(F)(F)F)c(F)c4F)cs3)nccc2n(C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.77
TRPV4 Q9HBA0 16/20 0.77
TRPV3 Q8NET8 4/20 0.74
TRPV1 Q8NER1 2/20 0.74

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
SCHEMBL13076873 0.93 TRPA1 (0.74) TRPA1TRPV4TRPV3TRPV1
SCHEMBL3805988 0.90 TRPA1 (0.78) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1799395 0.87 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL3802142 0.87 TRPA1 (0.78) TRPA1TRPV4TRPV3
SCHEMBL474604 0.86 TRPA1 (0.78) TRPA1TRPV4TRPV3TRPV1
SCHEMBL3805874 0.86 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13076701 0.85 TRPA1 (0.68) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689546 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13075865 0.84 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL474848 0.83 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1

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