SCHEMBL31037435

SCHEMBL31037435

COC(=O)c1ccc(C)nc1N1CCCC(F)(F)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 18/20 0.56
OPRK1 P41145 2/20 0.42

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
SCHEMBL25388006 1.00 SCN10A (0.56) SCN10AOPRK1
SCHEMBL29256663 0.92 SCN10A (0.49) SCN10A
SCHEMBL21906124 0.87 SCN10A (0.55) SCN10A
SCHEMBL29256640 0.86 SCN10A (0.56) SCN10A
SCHEMBL31037432 0.86 SCN10A (0.56) SCN10A
SCHEMBL21906117 0.85 SCN10A (0.58) SCN10A
SCHEMBL31163992 0.85 SCN10A (0.57) SCN10A
SCHEMBL31163997 0.85 SCN10A (0.46) SCN10A
SCHEMBL29256585 0.85 SCN10A (0.57) SCN10A
SCHEMBL29256690 0.85 SCN10A (0.46) SCN10A

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 2 patents. 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
CN-118324743-A Nav1.8 inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2024-07-12 CN disclosed