SCHEMBL31163995

SCHEMBL31163995

COC(=O)c1cc(Cl)c(C)nc1N1CCCC(F)(F)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 19/20 0.60
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL25389301 1.00 SCN10A (0.60) SCN10AOPRK1
SCHEMBL31629028 0.95 SCN10A (0.54) SCN10AOPRK1
SCHEMBL29256627 0.93 SCN10A (0.53) SCN10AOPRK1
SCHEMBL31343813 0.88 SCN10A (0.62) SCN10AOPRK1
SCHEMBL25391058 0.87 SCN10A (0.60) SCN10A
SCHEMBL29256586 0.87 SCN10A (0.48) SCN10AOPRK1
SCHEMBL29256588 0.87 SCN10A (0.47) SCN10AOPRK1
SCHEMBL30927519 0.86 SCN10A (0.60) SCN10A
SCHEMBL21906155 0.86 SCN10A (0.60) SCN10A
SCHEMBL31037376 0.86 SCN10A (0.47) SCN10AOPRK1

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
WO-2024217344-A1 NAV1.8 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2024-10-24 — — WO disclosed
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