SCHEMBL470576

SCHEMBL470576

CCn1nnc(N2CCC([C@H](C)Oc3cnc(N4C[C@H](c5cc(F)c(F)cc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.41
DPP7 Q9UHL4 11/20 0.41
DPP8 Q6V1X1 10/20 0.41
DPP9 Q86TI2 7/20 0.41
KCNH2 Q12809 3/20 0.39
CYP2D6 P10635 2/20 0.39
MCHR1 Q99705 2/20 0.38

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
SCHEMBL12064788 0.81 DPP4 (0.40) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL470699 0.80 DPP4 (0.35) DPP4DPP7DPP8DPP9
SCHEMBL470638 0.79 DPP4 (0.43) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL459777 0.79 DPP4 (0.43) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL459776 0.79 DPP4 (0.43) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL470633 0.78 DPP4 (0.41) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL470577 0.78 DPP4 (0.41) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL470666 0.78 DPP4 (0.40) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL470622 0.78 DPP4 (0.41) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL459778 0.78 DPP4 (0.41) 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