SCHEMBL4189153

SCHEMBL4189153

C[C@H](NCc1ccc(OCc2ccccc2F)c(OCc2ccccc2F)c1)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.74
MAOB P27338 4/20 0.52
MAOA P21397 2/20 0.52
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CD274 Q9NZQ7 5/20 0.48
SCN3A Q9NY46 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL2995936 1.00 SCN9A (0.74) SCN9AMAOBMAOAHTTRAB9A
SCHEMBL2995932 1.00 SCN9A (0.74) SCN9AMAOBMAOAHTTRAB9A
SCHEMBL964787 0.93 SCN9A (0.74) SCN9AMAOBMAOACD274SCN3A
SCHEMBL965989 0.93 SCN9A (0.74) SCN9AMAOBMAOACD274SCN3A
SCHEMBL963878 0.91 SCN9A (0.71) SCN9AMAOBMAOACD274SCN3A
SCHEMBL963288 0.91 SCN9A (0.71) SCN9AMAOBMAOACD274
SCHEMBL1697232 0.90 SCN9A (0.70) SCN9AMAOBMAOACD274SCN3A
SCHEMBL2938345 0.90 SCN9A (0.70) SCN9AMAOBMAOACD274SCN3A
SCHEMBL1697230 0.90 SCN9A (0.70) SCN9AMAOBMAOACD274SCN3A
SCHEMBL19562955 0.88 SCN9A (0.66) SCN9AMAOBMAOACD274SCN3A

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-2029524-A1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPAN AMIDES Newron Pharmaceuticals S.p.A. (IT) 2009-03-04 EP claimed
WO-2007147491-A1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLU0R0BENZYL0XY) BENZYLAMIN0] PROPAN AMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-12-27 WO claimed