SCHEMBL21861282

SCHEMBL21861282

CNc1cccc(-c2ccc(N3CC4CC4C3)nc2)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 10/20 0.46
▸ CNR2 P34972 2/20 0.44
▸ SYK P43405 4/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.38
▸ ADK P55263 1/20 0.37

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
SCHEMBL21861525 0.85 TRPA1 (0.47) TRPA1CNR2SYK
SCHEMBL17609592 0.81 ADK (0.43) TRPA1CNR2ASIC3ADK
SCHEMBL21861425 0.80 TRPA1 (0.47) TRPA1CNR2SYK
SCHEMBL17619545 0.76 CNR2 (0.65) CNR2
SCHEMBL30715016 0.72 GRM1 (0.39) CNR2KCNH2
SCHEMBL17609930 0.70 MAP3K12 (0.43) TRPA1CNR2ADK
SCHEMBL19396087 0.68 TRPA1 (0.56) TRPA1
SCHEMBL21861422 0.68 TRPA1 (0.45) TRPA1
SCHEMBL21861548 0.68 RET (0.35) TRPA1CNR2KCNH2
SCHEMBL23843149 0.67 GRIN2D (0.47) CNR2

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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