SCHEMBL459874

SCHEMBL459874

Cc1cc(C2CN(Cc3ccccc3)CC2[N+](=O)[O-])c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
ACHE P22303 4/20 0.38
BACE1 P56817 4/20 0.38
BCHE P06276 3/20 0.38
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CCR5 P51681 2/20 0.36
PDE9A O76083 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL14722767 1.00 DPP4 (0.41) DPP4DRD2DRD3ACHEBACE1
SCHEMBL14722768 1.00 DPP4 (0.41) DPP4DRD2DRD3ACHEBACE1
SCHEMBL149025 0.91 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL1726510 0.91 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL149024 0.91 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL119907 0.91 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL1726513 0.91 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL463330 0.87 NPSR1 (0.43) DPP4DRD2DRD3ACHEBACE1
SCHEMBL14723614 0.87 NPSR1 (0.43) DPP4DRD2DRD3ACHEBACE1
SCHEMBL14723613 0.87 NPSR1 (0.43) DPP4DRD2DRD3ACHEBACE1

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