SCHEMBL3799501

SCHEMBL3799501

CC(C)Cc1ccc(-c2csc(NC(=O)Cc3cnnc4c3c(=O)n(C)c(=O)n4C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.60
TRPV4 Q9HBA0 6/20 0.56

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
SCHEMBL3802191 0.88 TRPA1 (0.60) TRPA1TRPV4
SCHEMBL13174916 0.85 TRPA1 (0.62) TRPA1TRPV4
SCHEMBL612118 0.85 TRPA1 (0.74) TRPA1TRPV4
SCHEMBL12618170 0.85 TRPA1 (0.82) TRPA1TRPV4
SCHEMBL3791508 0.84 TRPA1 (0.69) TRPA1TRPV4
SCHEMBL10275446 0.83 TRPA1 (0.70) TRPA1TRPV4
SCHEMBL3794988 0.83 TRPA1 (0.61) TRPA1TRPV4
SCHEMBL13174949 0.82 TRPA1 (0.62) TRPA1TRPV4
SCHEMBL3796445 0.81 TRPA1 (0.81) TRPA1TRPV4
SCHEMBL3797553 0.79 TRPA1 (0.73) TRPA1TRPV4

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