SCHEMBL3953703

SCHEMBL3953703

C=CCN1CCC[C@]1(C(=O)O)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
DRD2 P14416 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HCRTR2 O43614 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3578169 0.81 ALDH1A1 (0.32) KDM4EALDH1A1GAA
SCHEMBL3952210 0.77 ALDH1A1 (0.43) ALDH1A1GAA
SCHEMBL4959664 0.77 PPIA (0.32) KDM4EALDH1A1GAA
SCHEMBL5569273 0.72 ACE (0.35) KDM4ENPFFR1NPFFR2DRD2MEN1
SCHEMBL3950941 0.72 OPRK1 (0.41) ALDH1A1
SCHEMBL2084429 0.71 MEN1 (0.38) KDM4ENPFFR1NPFFR2DRD2MEN1
SCHEMBL31730515 0.67 MEN1 (0.43) NPFFR1NPFFR2DRD2MEN1KMT2A
SCHEMBL18824270 0.66 DRD2 (0.44) NPFFR1NPFFR2DRD2MEN1KMT2A
SCHEMBL8199704 0.66 MEN1 (0.38) NPFFR1NPFFR2DRD2MEN1KMT2A
SCHEMBL2084957 0.66 MEN1 (0.38) NPFFR1NPFFR2DRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888618-A4 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LTD (NZ) 2009-07-15 EP disclosed
EP-1888618-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE Neuren Pharmaceuticals Limited (NZ) 2008-02-20 EP disclosed
WO-2006127702-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LIMITED (NZ) 2006-11-30 WO disclosed