SCHEMBL31037389

SCHEMBL31037389

CCc1nc(N2CCCC(F)(F)CC2)c(C(=O)O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 19/20 0.45
▸ PTGER4 P35408 1/20 0.38

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
SCHEMBL29256692 1.00 SCN10A (0.45) SCN10APTGER4
SCHEMBL29256657 0.88 SCN10A (0.47) SCN10A
SCHEMBL26608348 0.84 SCN10A (0.47) SCN10A
SCHEMBL26615749 0.82 SCN10A (0.47) SCN10APTGER4
SCHEMBL31037432 0.80 SCN10A (0.56) SCN10A
SCHEMBL29256640 0.80 SCN10A (0.56) SCN10A
SCHEMBL31163991 0.80 SCN10A (0.45) SCN10A
SCHEMBL31037406 0.80 SCN10A (0.45) SCN10A
SCHEMBL25391058 0.79 SCN10A (0.60) SCN10A
SCHEMBL31164003 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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