SCHEMBL2439954

SCHEMBL2439954

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.67
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
TRPV4 Q9HBA0 1/20 0.47

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
SCHEMBL2449066 0.95 TRPA1 (0.66) TRPA1MAPTTRPV4
SCHEMBL2450658 0.94 TRPA1 (0.69) TRPA1MAPTSMN1; SMN2
SCHEMBL2445568 0.90 TRPA1 (0.58) TRPA1MAPTSMN1; SMN2
SCHEMBL10139366 0.90 TRPA1 (0.64) TRPA1MAPTTRPV4
SCHEMBL2449784 0.89 TRPA1 (0.58) TRPA1MAPTSMN1; SMN2
SCHEMBL2445785 0.89 TRPA1 (0.59) TRPA1MAPTSMN1; SMN2
SCHEMBL2444338 0.88 TRPA1 (0.64) TRPA1MAPTSMN1; SMN2
SCHEMBL2445031 0.88 TRPA1 (0.76) TRPA1MAPTSMN1; SMN2
SCHEMBL2449972 0.88 TRPA1 (0.54) TRPA1MAPTSMN1; SMN2
SCHEMBL2444629 0.88 TRPA1 (0.54) TRPA1MAPTSMN1; 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 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