SCHEMBL2442286

SCHEMBL2442286

Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2CC(=O)Nc1nc(-c2ccc(C(F)(F)F)c(F)c2)cs1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.75
TRPV4 Q9HBA0 7/20 0.66
MAPT P10636 2/20 0.60

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
SCHEMBL2448645 0.94 TRPA1 (0.70) TRPA1TRPV4MAPT
SCHEMBL2443638 0.93 TRPA1 (0.75) TRPA1TRPV4MAPT
SCHEMBL2444959 0.93 TRPA1 (0.68) TRPA1TRPV4MAPT
SCHEMBL2446718 0.92 TRPA1 (0.68) TRPA1TRPV4MAPT
SCHEMBL2447486 0.91 TRPA1 (0.63) TRPA1TRPV4MAPT
SCHEMBL609909 0.89 TRPA1 (0.76) TRPA1TRPV4MAPT
SCHEMBL611202 0.86 TRPA1 (0.77) TRPA1TRPV4MAPT
SCHEMBL612122 0.86 TRPA1 (1.00) TRPA1TRPV4MAPT
SCHEMBL2439165 0.85 MAPT (0.59) TRPA1TRPV4MAPT
SCHEMBL612119 0.85 TRPA1 (0.76) TRPA1TRPV4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO claimed
WO-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed