SCHEMBL28338256

SCHEMBL28338256

CC1(C)C[C@@H](Oc2cc(F)c(C(=O)O)cc2C2CC2)CN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.54
SCN7A Q01118 5/20 0.49
SCN5A Q14524 3/20 0.39

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
SCHEMBL28338257 1.00 SCN9A (0.54) SCN9ASCN7ASCN5A
SCHEMBL17062219 0.90 SCN9A (0.50) SCN9ASCN7ASCN5A
SCHEMBL16770985 0.90 SCN9A (0.50) SCN9ASCN7ASCN5A
SCHEMBL28336069 0.88 SCN9A (0.44) SCN9ASCN7ASCN5A
SCHEMBL28336070 0.88 SCN9A (0.44) SCN9ASCN7ASCN5A
SCHEMBL28338323 0.83 SCN9A (0.74) SCN9ASCN7A
SCHEMBL28338325 0.83 SCN9A (0.74) SCN9ASCN7A
SCHEMBL28338285 0.82 SCN9A (0.47) SCN9ASCN7ASCN5A
SCHEMBL28338282 0.82 SCN9A (0.47) SCN9ASCN7ASCN5A
SCHEMBL16771063 0.78 SCN9A (0.44) SCN9ASCN7ASCN5A

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-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed