SCHEMBL2452811

SCHEMBL2452811

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)c(Cl)oc2n(C)c1=O

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.87
▸ TRPV4 Q9HBA0 9/20 0.87
▸ TRPV1 Q8NER1 2/20 0.73
▸ TRPV3 Q8NET8 2/20 0.73

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
SCHEMBL2444060 0.93 TRPA1 (1.00) TRPA1TRPV4TRPV1TRPV3
SCHEMBL10275261 0.92 TRPA1 (1.00) TRPA1TRPV4TRPV1TRPV3
SCHEMBL2445731 0.88 TRPA1 (1.00) TRPA1TRPV4TRPV1TRPV3
SCHEMBL2445784 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL10275206 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV1TRPV3
SCHEMBL9932587 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV1TRPV3
SCHEMBL14376705 0.84 TRPA1 (0.86) TRPA1TRPV4TRPV1TRPV3
SCHEMBL474671 0.82 TRPA1 (0.77) TRPA1TRPV4TRPV1TRPV3
SCHEMBL14972753 0.82 TRPA1 (0.77) TRPA1TRPV4TRPV1TRPV3
SCHEMBL612877 0.81 TRPA1 (0.72) TRPA1TRPV4TRPV1TRPV3

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 claimed
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