SCHEMBL458441

SCHEMBL458441

NC1CN(c2ncc(OCC3CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1c1cc(F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.51
DPP4 P27487 3/20 0.51
KCNH2 Q12809 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
GRIN2B Q13224 11/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL462138 0.88 MCHR1 (0.53) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL458155 0.85 PDE4B (0.43) MCHR1GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL12064536 0.80 MCHR1 (0.49) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470611 0.80 MCHR1 (0.49) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470572 0.79 MCHR1 (0.51) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL1724437 0.75 GPR119 (0.44) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL121217 0.75 GPR119 (0.44) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL120100 0.75 GPR119 (0.44) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL121276 0.75 MCHR1 (0.43) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL462728 0.74 MCHR1 (0.44) MCHR1DPP4KCNH2DPP8DPP9

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed