SCHEMBL21861347

SCHEMBL21861347

CC(N)C(=O)Nc1cccc(-c2cnc(C(F)(F)F)nc2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 16/20 0.54
▸ XIAP P98170 2/20 0.53
▸ BIRC2 Q13490 2/20 0.53
▸ TRPV3 Q8NET8 1/20 0.43
▸ SCN9A Q15858 1/20 0.43

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
SCHEMBL17609549 0.88 TRPA1 (0.52) TRPA1TRPV3
SCHEMBL17609589 0.75 TRPV3 (0.53) TRPA1XIAPBIRC2TRPV3
SCHEMBL17609761 0.73 TRPA1 (0.69) TRPA1
SCHEMBL19399983 0.73 TRPA1 (0.69) TRPA1
SCHEMBL17609759 0.73 TRPA1 (0.69) TRPA1
SCHEMBL19208099 0.72 XIAP (0.69) XIAPBIRC2
SCHEMBL29781821 0.72 XIAP (0.69) XIAPBIRC2
SCHEMBL19208097 0.72 XIAP (0.69) XIAPBIRC2
SCHEMBL21861301 0.72 TRPA1 (0.60) TRPA1
SCHEMBL21377327 0.69 TRPA1 (0.50) TRPA1

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
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 — — EP disclosed
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