SCHEMBL14730244

SCHEMBL14730244

N[C@H]1CN(c2ncc(C(=O)N(C3CC3)C3CCN(c4nc(C5CCOCC5)no4)CC3)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.35
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
DPP4 P27487 11/20 0.33
DPP9 Q86TI2 8/20 0.33
DPP8 Q6V1X1 7/20 0.33
KCNH2 Q12809 2/20 0.33
DPP7 Q9UHL4 7/20 0.33
GPR119 Q8TDV5 1/20 0.32
PIK3CD O00329 1/20 0.32
WDR5 P61964 2/20 0.32
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL14730365 0.89 MCHR1 (0.34) MCHR1HTR2ADRD3DPP4DPP9
SCHEMBL14730184 0.89 GPR119 (0.36) MCHR1DPP4DPP9DPP8KCNH2
SCHEMBL14730360 0.88 MCHR1 (0.36) MCHR1DPP4DPP9DPP8KCNH2
SCHEMBL14730179 0.85 GPR119 (0.34) HTR2ADRD3GPR119
SCHEMBL14730186 0.83 GPR119 (0.36) MCHR1DPP4DPP9DPP8KCNH2
SCHEMBL14730227 0.82 NTRK1 (0.34) HTR2ADRD3GPR119
SCHEMBL14730289 0.82 MCHR1 (0.34) MCHR1HTR2ADRD3DPP4DPP9
SCHEMBL14730248 0.81 PDK2 (0.35) MCHR1DPP4DPP9DPP8KCNH2
SCHEMBL14730362 0.80 DPP4 (0.36) MCHR1DPP4DPP9DPP8KCNH2
SCHEMBL14730299 0.80 DPP4 (0.37) MCHR1DPP4DPP9DPP8KCNH2

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-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