SCHEMBL21861516

SCHEMBL21861516

CCC(=O)CNC(=O)c1c(NC)ncn1[C@@H](C)C(=O)Nc1cccc(-c2ccc(C(F)(F)F)nc2)n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.55

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
SCHEMBL21861283 0.83 TRPA1 (0.64) TRPA1
SCHEMBL21861301 0.83 TRPA1 (0.60) TRPA1
SCHEMBL17609774 0.76 TRPA1 (0.86) TRPA1
SCHEMBL21861717 0.76 TRPA1 (0.62) TRPA1
SCHEMBL21861681 0.74 TRPA1 (0.49) TRPA1
SCHEMBL21861773 0.74 TRPA1 (0.64) TRPA1
SCHEMBL21861718 0.74 TRPA1 (0.63) TRPA1
SCHEMBL21861503 0.73 TRPA1 (0.61) TRPA1
SCHEMBL17609873 0.72 TRPA1 (0.70) TRPA1
SCHEMBL17609589 0.72 TRPV3 (0.53) 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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