SCHEMBL462518

SCHEMBL462518

CCc1cnc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.43
DPP8 Q6V1X1 6/20 0.43
MCHR1 Q99705 4/20 0.43
DPP9 Q86TI2 4/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 4/20 0.39
GPR119 Q8TDV5 6/20 0.36
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL470520 0.86 DPP4 (0.42) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL470695 0.86 DPP4 (0.39) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL462389 0.84 MCHR1 (0.41) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL470839 0.84 MCHR1 (0.38) DPP4DPP8MCHR1DPP9KCNH2
Hydrochloric Acid SCHEMBL462388 0.83 MCHR1 (0.40) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL470671 0.83 MCHR1 (0.37) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL12064760 0.82 MCHR1 (0.39) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL461833 0.82 MCHR1 (0.36) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL121289 0.81 MCHR1 (0.44) DPP4DPP8MCHR1DPP9KCNH2
SCHEMBL470603 0.81 MCHR1 (0.36) DPP4DPP8MCHR1DPP9KCNH2

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