SCHEMBL369957

SCHEMBL369957

CC[C@H](Oc1ncc(O)cc1Cl)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.48
RAB9A P51151 1/20 0.36
MAPK1 P28482 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL369956 1.00 SCN9A (0.48) SCN9ARAB9AMAPK1S1PR1S1PR3
SCHEMBL365394 0.81 S1PR1 (0.41) SCN9ARAB9AMAPK1S1PR1S1PR3
SCHEMBL10198424 0.81 S1PR1 (0.41) SCN9ARAB9AMAPK1S1PR1S1PR3
SCHEMBL364997 0.81 S1PR1 (0.41) SCN9ARAB9AMAPK1S1PR1S1PR3
SCHEMBL16240182 0.80 SCN9A (0.45) SCN9ARAB9AMAPK1MRGPRX4MEN1
SCHEMBL16175138 0.75 MAPK1 (0.40) SCN9ARAB9AMAPK1MEN1KMT2A
SCHEMBL364199 0.75 SCN9A (0.41) SCN9ARAB9AMAPK1S1PR1S1PR3
SCHEMBL370604 0.75 AAK1 (0.43) SCN9AS1PR1S1PR3S1PR5
SCHEMBL370605 0.75 AAK1 (0.43) SCN9AS1PR1S1PR3S1PR5
SCHEMBL16175571 0.74 MAPK1 (0.37) SCN9ARAB9AMAPK1MRGPRX4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed