SCHEMBL470902

SCHEMBL470902

CCc1noc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(C)ccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.34
DPP8 Q6V1X1 6/20 0.33
DPP9 Q86TI2 5/20 0.33
MCHR1 Q99705 4/20 0.33
KCNH2 Q12809 4/20 0.33
GPR119 Q8TDV5 3/20 0.32
ACACB O00763 1/20 0.32
DPP7 Q9UHL4 5/20 0.32
CYP2D6 P10635 1/20 0.30
TRPC6 Q9Y210 1/20 0.30
OPRK1 P41145 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GPR183 P32249 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
SCHEMBL470695 0.93 DPP4 (0.39) DPP4DPP8DPP9MCHR1KCNH2
SCHEMBL462540 0.91 DPP4 (0.34) DPP4DPP8DPP9MCHR1KCNH2
SCHEMBL470907 0.90 GPR119 (0.40) DPP4DPP8KCNH2GPR119DPP7
SCHEMBL12064853 0.90 ALDH1A1 (0.34) DPP4DPP8DPP9MCHR1KCNH2
SCHEMBL470656 0.88 ALOX5AP (0.34) DPP4DPP8DPP9KCNH2GPR119
SCHEMBL470671 0.86 MCHR1 (0.37) DPP4DPP8DPP9MCHR1KCNH2
SCHEMBL470580 0.84 NR1H2 (0.33) ACACBOPRK1
SCHEMBL470636 0.84 MCHR1 (0.37) DPP4DPP8DPP9MCHR1KCNH2
SCHEMBL470666 0.84 DPP4 (0.40) DPP4DPP8DPP9MCHR1KCNH2
SCHEMBL470662 0.82 GPR119 (0.33) DPP4DPP8DPP9KCNH2GPR119

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