SCHEMBL470654

SCHEMBL470654

Cc1ccc(F)c([C@H]2CN(Cc3ccccc3)C[C@@H]2N)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.60
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CCR5 P51681 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
EED O75530 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
SCHEMBL6125565 0.87 DPP4 (0.63) DPP4MEN1KMT2ACCR5DRD2
SCHEMBL14730218 0.87 DPP4 (0.63) DPP4MEN1KMT2ACCR5DRD2
SCHEMBL14722977 0.86 DPP4 (0.58) DPP4CCR5DRD2DRD3ACHE
SCHEMBL12064538 0.86 DPP4 (0.58) DPP4CCR5DRD2DRD3ACHE
SCHEMBL14722978 0.86 DPP4 (0.58) DPP4CCR5DRD2DRD3ACHE
SCHEMBL149732 0.84 DPP4 (0.64) DPP4CCR5DRD2DRD3
SCHEMBL461966 0.84 DPP4 (0.64) DPP4CCR5DRD2DRD3
SCHEMBL149731 0.84 DPP4 (0.64) DPP4CCR5DRD2DRD3
SCHEMBL149730 0.84 DPP4 (0.64) DPP4CCR5DRD2DRD3
SCHEMBL14723602 0.84 DPP4 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed