SCHEMBL5406642

SCHEMBL5406642

Cc1cc(CNC2CCNC2)ccc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
SLC6A4 P31645 9/20 0.46
CD274 Q9NZQ7 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 8/20 0.41
SLC6A3 Q01959 3/20 0.41
MAP4K3 Q8IVH8 1/20 0.40
MAOB P27338 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5955079 0.84 SLC6A4 (0.45) FFAR1FFAR4SLC6A4SLC6A2SLC6A3
SCHEMBL5391289 0.83 FFAR4 (0.52) FFAR4SLC6A4MAP4K3MAOBSCN9A
SCHEMBL1347060 0.81 FFAR1 (0.53) FFAR1FFAR4SLC6A4CD274MEN1
SCHEMBL4488371 0.77 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4749429 0.77 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL5393770 0.73 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MAP4K3MAOB
SCHEMBL5435829 0.72 SLC6A2 (0.44) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL5403306 0.72 PTPN1 (0.46) SLC6A4SLC6A2SLC6A3MAP4K3MAOB
SCHEMBL5668614 0.71 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL16462862 0.71 EPHX2 (0.40) SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511564-A 2007-05-10 JP claimed
EP-1685103-A1 3-AMINOPYRROLIDONE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-02 EP claimed
WO-2005054190-A1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO claimed
EP-1685103-A1 3-AMINOPYRROLIDONE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-02 EP disclosed
WO-2005054190-A1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO disclosed