SCHEMBL5406506

SCHEMBL5406506

FC(F)(F)c1ccc(COc2ccc(CNC3CCNC3)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
KDM1A O60341 1/20 0.44
SCN9A Q15858 1/20 0.43
PRMT5 O14744 1/20 0.42
PIM1 P11309 1/20 0.42
PDGFRA P16234 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
SLC6A4 P31645 1/20 0.41
MAOB P27338 8/20 0.39
SLC6A5 Q9Y345 3/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
MAOA P21397 5/20 0.39

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
SCHEMBL1346901 0.80 SCN9A (0.46) F10SCN9APRMT5PIM1PDGFRA
SCHEMBL5393770 0.76 SLC6A4 (0.46) F10KDM1ASCN9APRMT5S1PR1
SCHEMBL5403306 0.76 PTPN1 (0.46) F10KDM1ASCN9APRMT5SLC6A4
SCHEMBL5955079 0.76 SLC6A4 (0.45) F10KDM1ASCN9ASLC6A4MAOB
SCHEMBL27246562 0.74 P2RX7 (0.44) KDM1ASLC6A4
SCHEMBL951982 0.73 SLC6A2 (0.49) KDM1ASLC6A4
SCHEMBL951983 0.73 SLC6A2 (0.49) KDM1ASLC6A4
SCHEMBL950613 0.73 BCHE (0.52) KDM1ASLC6A4MAOBMAOA
SCHEMBL950614 0.73 BCHE (0.52) KDM1ASLC6A4MAOBMAOA
Hydrochloric Acid SCHEMBL950622 0.72 BCHE (0.51) KDM1ASLC6A4MAOBMAOA

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