SCHEMBL21861503

SCHEMBL21861503

CNc1ncn([C@@H](C)C(=O)Nc2cccc(-c3ccc(N4CC5C(C4)C5(F)F)nc3)n2)c1C(=O)NCN

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.61

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 0.81 TRPA1 (0.64) TRPA1
SCHEMBL17609798 0.76 TRPA1 (1.00) TRPA1
SCHEMBL19400014 0.76 TRPA1 (0.73) TRPA1
SCHEMBL20787715 0.75 TRPA1 (0.66) TRPA1
SCHEMBL19399978 0.74 TRPA1 (0.84) TRPA1
SCHEMBL19396063 0.74 TRPA1 (1.00) TRPA1
SCHEMBL17610058 0.74 TRPA1 (1.00) TRPA1
SCHEMBL21861773 0.73 TRPA1 (0.64) TRPA1
SCHEMBL21861516 0.73 TRPA1 (0.55) TRPA1
SCHEMBL21861301 0.72 TRPA1 (0.60) 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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