SCHEMBL2451828

SCHEMBL2451828

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(OC(F)(F)F)c(F)c4)cs3)c(Br)oc2n(C)c1=O

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.85
▸ TRPV4 Q9HBA0 7/20 0.84
▸ TRPV3 Q8NET8 1/20 0.72

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
SCHEMBL10275251 0.92 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL2453791 0.91 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL10275422 0.86 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL2453438 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL10275162 0.85 TRPA1 (0.80) TRPA1TRPV4TRPV3
SCHEMBL2447165 0.85 TRPA1 (0.88) TRPA1TRPV4TRPV3
SCHEMBL9933055 0.84 TRPA1 (1.00) TRPA1TRPV4TRPV3
SCHEMBL10276013 0.84 TRPA1 (0.85) TRPA1TRPV4TRPV3
SCHEMBL13175070 0.84 TRPA1 (0.75) TRPA1TRPV4TRPV3
SCHEMBL13175045 0.83 TRPA1 (0.80) 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 3 patents. 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
WO-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 — — WO disclosed
WO-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 — — WO disclosed
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