SCHEMBL28146728

SCHEMBL28146728

CC(C)C(NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.65
▸ SCN5A Q14524 9/20 0.63
▸ SCN7A Q01118 5/20 0.63
▸ SCN2B O60939 1/20 0.56
▸ SCN1A P35498 1/20 0.56
▸ SCN4A P35499 1/20 0.56
▸ SCN1B Q07699 1/20 0.56
▸ SCN2A Q99250 1/20 0.56
▸ SCN8A Q9UQD0 1/20 0.56

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
SCHEMBL19083868 1.00 SCN9A (0.65) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428519 0.94 SCN9A (0.64) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428701 0.93 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19064913 0.93 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19083835 0.91 SCN9A (0.66) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423237 0.89 SCN9A (0.68) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423013 0.89 SCN9A (0.68) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428743 0.88 SCN9A (0.63) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428668 0.88 SCN9A (0.65) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428732 0.87 SCN9A (0.63) SCN9ASCN5ASCN7ASCN2BSCN1A

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-106715418-A Therapeutic compounds and methods of use thereof 基因泰克公司 2017-05-24 — — CN disclosed
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