SCHEMBL461833

SCHEMBL461833

CC(O)c1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
DPP4 P27487 7/20 0.36
KCNH2 Q12809 5/20 0.36
DPP8 Q6V1X1 5/20 0.36
DPP9 Q86TI2 3/20 0.36
GPR119 Q8TDV5 9/20 0.35
DPP7 Q9UHL4 4/20 0.33
GPR183 P32249 1/20 0.33
CYP2D6 P10635 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL470633 0.92 DPP4 (0.41) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470577 0.92 DPP4 (0.41) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470695 0.89 DPP4 (0.39) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470671 0.88 MCHR1 (0.37) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470907 0.87 GPR119 (0.40) DPP4KCNH2DPP8GPR119DPP7
SCHEMBL470692 0.86 MCHR1 (0.36) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL12064566 0.86 MCHR1 (0.35) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL12064750 0.86 MCHR1 (0.36) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL470555 0.85 GPR119 (0.39) MCHR1DPP4KCNH2DPP8DPP9
SCHEMBL12064992 0.85 MCHR1 (0.35) 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 2 patents. 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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed