SCHEMBL462261

SCHEMBL462261

NC(=O)N1CCC(CCOc2cnc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.48
DPP7 Q9UHL4 15/20 0.48
DPP8 Q6V1X1 13/20 0.48
DPP9 Q86TI2 11/20 0.48
KCNH2 Q12809 3/20 0.42
CYP2D6 P10635 2/20 0.42
MCHR1 Q99705 2/20 0.41

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
Hydrochloric Acid SCHEMBL462352 0.80 DPP4 (0.39) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL121320 0.78 DPP4 (0.44) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL148501 0.77 DPP4 (0.43) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL120063 0.75 DPP4 (0.41) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL462138 0.74 MCHR1 (0.53) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL121162 0.74 GPR119 (0.42) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL462956 0.74 DPP4 (0.39) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL12064577 0.72 DPP4 (0.43) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL470531 0.72 MCHR1 (0.49) DPP4DPP8DPP9KCNH2MCHR1
SCHEMBL470637 0.71 DPP4 (0.42) DPP4DPP7DPP8DPP9KCNH2

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