SCHEMBL22394304

SCHEMBL22394304

OC[C@H](NCCCCCCF)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 17/20 0.43
▸ SCN9A Q15858 3/20 0.36

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
SCHEMBL22394311 0.90 TRPV3 (0.46) TRPV3SCN9A
SCHEMBL22394321 0.90 TRPV3 (0.46) TRPV3SCN9A
SCHEMBL22394319 0.89 TRPV3 (0.47) TRPV3SCN9A
SCHEMBL22394320 0.88 TRPV3 (0.47) TRPV3
SCHEMBL22394308 0.88 TRPV3 (0.48) TRPV3SCN9A
SCHEMBL22394306 0.82 TRPV3 (0.46) TRPV3SCN9A
SCHEMBL22321669 0.80 KCNH2 (0.38) TRPV3SCN9A
SCHEMBL22321587 0.80 KCNH2 (0.38) TRPV3SCN9A
SCHEMBL22321584 0.80 KCNH2 (0.38) TRPV3SCN9A
SCHEMBL22337524 0.78 TRPV3 (0.39) TRPV3

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-3704093-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE Université Amiens Picardie Jules Verne (FR) 2020-09-09 — — EP disclosed
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