SCHEMBL14672046

SCHEMBL14672046

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(F)cc(Cl)c4)cs3)c(Cl)oc2n(C)c1=O

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.83
▸ TRPV4 Q9HBA0 5/20 0.72
▸ TRPV3 Q8NET8 1/20 0.58

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
SCHEMBL12323497 0.91 TRPA1 (0.79) TRPA1TRPV4TRPV3
SCHEMBL2453236 0.91 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL2445784 0.83 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL2453438 0.83 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL10275138 0.83 TRPA1 (0.84) TRPA1TRPV4TRPV3
SCHEMBL2453791 0.82 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL10275195 0.82 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL2447165 0.81 TRPA1 (0.88) TRPA1TRPV4TRPV3
SCHEMBL10315640 0.81 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL10275146 0.81 TRPA1 (0.85) TRPA1TRPV4TRPV3

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-2013014597-A1 PHARMACEUTICAL COMPOSITION COMPRISING A TRPA1 ANTAGONIST AND A STEROID GLENMARK PHARMACEUTICALS SA (CH) 2013-01-31 — — WO disclosed
Send feedback