SCHEMBL3796551

SCHEMBL3796551

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)cc4F)cs3)cnnc2n(C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.73
TRPV4 Q9HBA0 10/20 0.73
TRPV3 Q8NET8 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL3794478 0.90 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL3810127 0.88 TRPA1 (0.76) TRPA1TRPV4TRPV3MEN1ALDH1A1
SCHEMBL3794988 0.86 TRPA1 (0.61) TRPA1TRPV4TRPV3
SCHEMBL3791508 0.86 TRPA1 (0.69) TRPA1TRPV4MEN1MAPTKMT2A
SCHEMBL3794851 0.85 TRPA1 (0.80) TRPA1TRPV4TRPV3
SCHEMBL3798206 0.85 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL3794310 0.85 TRPA1 (0.61) TRPA1TRPV4TRPV3LMNAMAPT
SCHEMBL612545 0.85 TRPA1 (0.71) TRPA1TRPV4TRPV3MEN1ALDH1A1
SCHEMBL1803340 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL12323499 0.83 TRPA1 (0.75) TRPA1TRPV4TRPV3MEN1ALDH1A1

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