SCHEMBL3802191

SCHEMBL3802191

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cnnc2n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.60
TRPV4 Q9HBA0 6/20 0.59
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL3791508 0.89 TRPA1 (0.69) TRPA1TRPV4MAPT
SCHEMBL3794310 0.88 TRPA1 (0.61) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL3799501 0.88 TRPA1 (0.60) TRPA1TRPV4
SCHEMBL3794988 0.86 TRPA1 (0.61) TRPA1TRPV4
SCHEMBL3810205 0.84 TRPA1 (0.59) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL474692 0.84 TRPA1 (0.65) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL3796445 0.84 TRPA1 (0.81) TRPA1TRPV4
SCHEMBL612052 0.84 TRPA1 (0.79) TRPA1TRPV4MAPTSMN1; SMN2
SCHEMBL12618156 0.84 TRPA1 (0.84) TRPA1TRPV4
SCHEMBL3798786 0.83 TRPA1 (0.72) TRPA1TRPV4

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-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO claimed
WO-2010125469-A1 PYRIMIDINEDIONE-FUSED HETEROCYCLIC COMPOUNDS AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-04 WO disclosed