SCHEMBL28338323

SCHEMBL28338323

O=C(O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccccc3)C2)cc1F

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.74
SCN7A Q01118 2/20 0.50
BCHE P06276 3/20 0.48
MAOB P27338 2/20 0.48
ROCK1 Q13464 3/20 0.46
ROCK2 O75116 2/20 0.46
CCR2 P41597 1/20 0.46
SCN8A Q9UQD0 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL28338325 1.00 SCN9A (0.74) SCN9ASCN7ABCHEMAOBROCK1
SCHEMBL16758950 0.93 SCN9A (0.65) SCN9ASCN7A
SCHEMBL17062042 0.93 SCN9A (0.65) SCN9ASCN7A
SCHEMBL16759053 0.93 SCN9A (0.76) SCN9ASCN7ABCHEMAOBALDH1A1
SCHEMBL16759056 0.93 SCN9A (0.76) SCN9ASCN7ABCHEMAOBALDH1A1
SCHEMBL17061726 0.92 SCN9A (0.63) SCN9ASCN7A
SCHEMBL16759567 0.92 SCN9A (0.63) SCN9ASCN7A
SCHEMBL17069368 0.91 SCN9A (0.63) SCN9ASCN7ABCHEALDH1A1
SCHEMBL17062482 0.90 SCN9A (0.63) SCN9ASCN7A
SCHEMBL16770983 0.90 SCN9A (0.63) SCN9ASCN7A

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