SCHEMBL28338331

SCHEMBL28338331

O=C(O)c1cc(Cl)c(OC2CCCN(Cc3ccccc3)C2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.59
SCN8A Q9UQD0 4/20 0.50
BCHE P06276 3/20 0.50
MAOB P27338 2/20 0.50
ROCK1 Q13464 3/20 0.48
ROCK2 O75116 2/20 0.48
CCR2 P41597 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
SCN1A P35498 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL28338330 1.00 SCN9A (0.59) SCN9ASCN8ABCHEMAOBROCK1
SCHEMBL28338323 0.88 SCN9A (0.74) SCN9ASCN8ABCHEMAOBROCK1
SCHEMBL28338325 0.88 SCN9A (0.74) SCN9ASCN8ABCHEMAOBROCK1
SCHEMBL17061709 0.88 SCN9A (0.53) SCN9ASCN8ABCHEMAOBROCK1
SCHEMBL16770969 0.88 SCN9A (0.53) SCN9ASCN8ABCHEMAOBROCK1
SCHEMBL16759342 0.86 SCN9A (0.51) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL16759339 0.86 SCN9A (0.51) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL16759056 0.83 SCN9A (0.76) SCN9ABCHEMAOBDRD4MEN1
SCHEMBL16759053 0.83 SCN9A (0.76) SCN9ABCHEMAOBDRD4MEN1
SCHEMBL17061816 0.82 SCN9A (0.62) SCN9ASCN8ASCN1AMEN1KMT2A

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