SCHEMBL2448547

SCHEMBL2448547

Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2CC(=O)Nc1nc(-c2ccc(F)c(C(F)(F)F)c2F)cs1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.67
TRPV4 Q9HBA0 10/20 0.67
TRPV3 Q8NET8 4/20 0.67
TRPV1 Q8NER1 2/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL2445026 0.94 TRPA1 (0.62) TRPA1TRPV4TRPV3TRPV1MAPT
SCHEMBL10139357 0.88 TRPA1 (0.66) TRPA1TRPV4TRPV3TRPV1MAPT
SCHEMBL480749 0.86 TRPA1 (0.68) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10139318 0.86 TRPA1 (0.72) TRPA1TRPV4TRPV3MAPT
SCHEMBL612806 0.84 TRPA1 (0.77) TRPA1TRPV4TRPV3TRPV1
SCHEMBL2443638 0.83 TRPA1 (0.75) TRPA1TRPV4MAPT
SCHEMBL2442286 0.81 TRPA1 (0.75) TRPA1TRPV4MAPT
SCHEMBL474659 0.81 TRPA1 (0.98) TRPA1TRPV4TRPV3TRPV1
SCHEMBL474519 0.80 TRPA1 (0.78) TRPA1TRPV4TRPV3TRPV1
SCHEMBL474789 0.80 TRPA1 (1.00) 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-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed