SCHEMBL5403306

SCHEMBL5403306

FC(F)(F)c1ccc(COc2ccc(CNC3CCNC3)cc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.46
SLC6A4 P31645 4/20 0.45
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
KDM1A O60341 1/20 0.41
SCN9A Q15858 1/20 0.41
MAP4K3 Q8IVH8 1/20 0.40
F10 P00742 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOB P27338 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
HTR2A P28223 1/20 0.36
PRMT5 O14744 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL5393770 0.88 SLC6A4 (0.46) PTPN1SLC6A4HTR2CHTR2BKDM1A
SCHEMBL5955079 0.88 SLC6A4 (0.45) SLC6A4HTR2CHTR2BKDM1ASCN9A
SCHEMBL1346701 0.80 PTPN1 (0.48) PTPN1SLC6A4HTR2CHTR2BSCN9A
SCHEMBL5391289 0.78 FFAR4 (0.52) SLC6A4HTR2CHTR2BSCN9AMAP4K3
SCHEMBL20314113 0.77 HTR2C (0.53) SLC6A4HTR2CHTR2BHTR2A
SCHEMBL5406506 0.76 F10 (0.44) SLC6A4KDM1ASCN9AMAP4K3F10
SCHEMBL24393407 0.73 BCHE (0.57) SLC6A4HTR2CKDM1ASLC6A2MAOB
SCHEMBL5406642 0.72 FFAR1 (0.52) SLC6A4SCN9AMAP4K3SLC6A2SLC6A3
SCHEMBL20314112 0.70 SLC6A4 (0.53) SLC6A4HTR2CHTR2BSLC6A2SLC6A3
SCHEMBL25253729 0.70 BCHE (0.52) KDM1AMAOBBCHEACHEBACE1

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