SCHEMBL470598

SCHEMBL470598

N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.61
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
KDM1A O60341 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
RORC P51449 1/20 0.42
FUCA1 P04066 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1B Q8NB78 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 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
SCHEMBL14723602 0.90 DPP4 (0.61) DPP4DRD2DRD3KDM1AMAOA
SCHEMBL14730265 0.90 DPP4 (0.61) DPP4DRD2DRD3KDM1AMAOA
SCHEMBL14723600 0.90 DPP4 (0.61) DPP4DRD2DRD3KDM1AMAOA
SCHEMBL147329 0.83 DPP4 (0.63) DPP4DRD2DRD3KDM1AMAOA
SCHEMBL147328 0.83 DPP4 (0.63) DPP4DRD2DRD3KDM1AMAOA
SCHEMBL1725958 0.83 DPP4 (0.63) DPP4DRD2DRD3KDM1AMAOA
SCHEMBL147330 0.83 DPP4 (0.63) DPP4DRD2DRD3KDM1AMAOA
SCHEMBL149731 0.82 DPP4 (0.64) DPP4DRD2DRD3
SCHEMBL149730 0.82 DPP4 (0.64) DPP4DRD2DRD3
SCHEMBL149732 0.82 DPP4 (0.64) DPP4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed