SCHEMBL1725958

SCHEMBL1725958

N[C@@H]1CN(Cc2ccccc2)CC1c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.63
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
CCR5 P51681 1/20 0.46
ACHE P22303 4/20 0.46
BACE1 P56817 4/20 0.46
BCHE P06276 3/20 0.46
FUCA1 P04066 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MC1R Q01726 1/20 0.42
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL147328 1.00 DPP4 (0.63) DPP4DRD2DRD3CCR5ACHE
SCHEMBL147329 1.00 DPP4 (0.63) DPP4DRD2DRD3CCR5ACHE
SCHEMBL147330 1.00 DPP4 (0.63) DPP4DRD2DRD3CCR5ACHE
SCHEMBL14730218 0.90 DPP4 (0.63) DPP4DRD2DRD3CCR5ACHE
SCHEMBL6125565 0.90 DPP4 (0.63) DPP4DRD2DRD3CCR5ACHE
SCHEMBL470566 0.88 DPP4 (0.77) DPP4DRD2DRD3CCR5HTR2A
SCHEMBL1203772 0.87 DPP4 (0.60) DPP4DRD2DRD3CCR5ACHE
SCHEMBL1203774 0.87 DPP4 (0.60) DPP4DRD2DRD3CCR5ACHE
SCHEMBL149731 0.86 DPP4 (0.64) DPP4DRD2DRD3CCR5
SCHEMBL149730 0.86 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
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed