SCHEMBL470519

SCHEMBL470519

ON[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
FUCA1 P04066 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CCR5 P51681 1/20 0.40
GRIN2B Q13224 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL470773 0.90 DRD2 (0.41) DPP4DRD2DRD3FUCA1KDM1A
SCHEMBL13186825 0.88 DRD2 (0.53) DPP4DRD2DRD3FUCA1SIGMAR1
SCHEMBL13186638 0.88 DRD2 (0.50) DPP4DRD2DRD3FUCA1SIGMAR1
SCHEMBL470646 0.87 DRD2 (0.45) DPP4DRD2DRD3FUCA1SIGMAR1
SCHEMBL5924067 0.86 DPP4 (0.48) DPP4DRD2DRD3SIGMAR1GRIN2B
SCHEMBL1724899 0.86 DPP4 (0.48) DPP4DRD2DRD3SIGMAR1GRIN2B
SCHEMBL470568 0.85 NPSR1 (0.42) DPP4DRD2DRD3SIGMAR1CCR5
SCHEMBL149731 0.80 DPP4 (0.64) DPP4DRD2DRD3CCR5
SCHEMBL149730 0.80 DPP4 (0.64) DPP4DRD2DRD3CCR5
SCHEMBL461966 0.80 DPP4 (0.64) DPP4DRD2DRD3CCR5

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 2 patents. 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
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed