SCHEMBL2449066

SCHEMBL2449066

Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2CC(=O)Nc1nc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)cs1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.66
MAPT P10636 1/20 0.55
TRPV4 Q9HBA0 2/20 0.49

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
SCHEMBL2439954 0.95 TRPA1 (0.67) TRPA1MAPTTRPV4
SCHEMBL2444338 0.93 TRPA1 (0.64) TRPA1MAPT
SCHEMBL612352 0.89 TRPA1 (0.67) TRPA1MAPTTRPV4
SCHEMBL2442968 0.89 TRPA1 (0.65) TRPA1MAPT
SCHEMBL2450658 0.88 TRPA1 (0.69) TRPA1MAPT
SCHEMBL2446395 0.88 TRPA1 (0.60) TRPA1MAPT
SCHEMBL2448893 0.87 TRPA1 (0.55) TRPA1MAPT
SCHEMBL2445806 0.87 MAPT (0.53) TRPA1MAPT
SCHEMBL2448279 0.87 TRPA1 (0.59) TRPA1MAPT
SCHEMBL2450775 0.87 TRPA1 (0.59) TRPA1MAPT

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