SCHEMBL470662

SCHEMBL470662

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.33
KCNH2 Q12809 2/20 0.33
GPR183 P32249 1/20 0.31
POLB P06746 1/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL470624 0.96 GPR119 (0.33) GPR119KCNH2GPR183POLBDPP4
SCHEMBL470695 0.89 DPP4 (0.39) GPR119KCNH2DPP4DPP8DPP9
SCHEMBL470676 0.88 ACACB (0.39) DPP4DPP8DPP9DPP7
SCHEMBL470683 0.83 OPRK1 (0.33) GPR119GPR183
SCHEMBL470486 0.83 NTRK1 (0.36) GPR119
SCHEMBL470699 0.82 DPP4 (0.35) DPP4DPP8DPP9DPP7
SCHEMBL470902 0.82 DPP4 (0.34) GPR119KCNH2GPR183DPP4DPP8
SCHEMBL12064798 0.82 GPR119 (0.40) GPR119KCNH2GPR183DPP4
SCHEMBL470671 0.82 MCHR1 (0.37) GPR119KCNH2GPR183DPP4DPP8
SCHEMBL470580 0.81 NR1H2 (0.33)

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