SCHEMBL21861674

SCHEMBL21861674

Cc1cc(-c2cccc(NC(=O)CN)n2)cnc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 15/20 0.50
▸ BTK Q06187 5/20 0.44
▸ ITK Q08881 5/20 0.44

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
SCHEMBL17609719 0.74 TRPA1 (0.66) TRPA1
SCHEMBL17619753 0.74 ASIC3 (0.45) TRPA1
SCHEMBL21224272 0.74 CNR1 (0.55) —
SCHEMBL17609623 0.73 TRPA1 (0.82) TRPA1
SCHEMBL19379601 0.72 TRPA1 (0.83) TRPA1
SCHEMBL17609790 0.70 TRPV3 (0.50) TRPA1
SCHEMBL22291068 0.69 BLM (0.48) —
SCHEMBL30060831 0.69 BLM (0.48) —
SCHEMBL17619607 0.67 NPC1 (0.44) —
SCHEMBL21861347 0.67 TRPA1 (0.54) 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
Send feedback