Sugi Predict

Sugi Predict / Compounds / SCHEMBL3789832

SCHEMBL3789832

SCHEMBL3789832

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cnnc2n(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.74
▸ TRPV4 Q9HBA0 14/20 0.74
▸ TRPV3 Q8NET8 3/20 0.60
▸ TRPV1 Q8NER1 2/20 0.60

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
SCHEMBL3798206 0.93 TRPA1 (0.76) TRPA1TRPV4TRPV3TRPV1
SCHEMBL3794851 0.88 TRPA1 (0.80) TRPA1TRPV4TRPV3TRPV1
SCHEMBL474671 0.87 TRPA1 (0.77) TRPA1TRPV4TRPV3TRPV1
SCHEMBL612877 0.86 TRPA1 (0.72) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689521 0.86 TRPA1 (0.75) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275206 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL3794478 0.85 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL3796445 0.84 TRPA1 (0.81) TRPA1TRPV4TRPV3
SCHEMBL3796551 0.83 TRPA1 (0.73) TRPA1TRPV4TRPV3
SCHEMBL1689537 0.82 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 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