SCHEMBL2447486

SCHEMBL2447486

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.63
TRPV4 Q9HBA0 6/20 0.58
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2442286 0.91 TRPA1 (0.75) TRPA1TRPV4MAPT
SCHEMBL2445134 0.90 TRPA1 (0.63) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL2443638 0.89 TRPA1 (0.75) TRPA1TRPV4MAPT
SCHEMBL2511229 0.88 TRPA1 (0.67) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL2448645 0.87 TRPA1 (0.70) TRPA1TRPV4MAPT
SCHEMBL2446718 0.85 TRPA1 (0.68) TRPA1TRPV4MAPT
SCHEMBL2445395 0.85 TRPA1 (0.63) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL2444959 0.84 TRPA1 (0.68) TRPA1TRPV4MAPT
SCHEMBL2439954 0.83 TRPA1 (0.67) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL2444930 0.82 TRPA1 (0.53) TRPA1TRPV4MAPTSMN1; SMN2

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