SCHEMBL459777

SCHEMBL459777

CC[C@H](C)S(=O)(=O)N1CCC(C(C)Oc2cnc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.43
DPP8 Q6V1X1 9/20 0.41
DPP9 Q86TI2 8/20 0.41
DPP7 Q9UHL4 8/20 0.41
MCHR1 Q99705 2/20 0.39
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL470638 1.00 DPP4 (0.43) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL459776 1.00 DPP4 (0.43) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL459778 0.87 DPP4 (0.41) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL470622 0.87 DPP4 (0.41) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL12064607 0.84 DPP4 (0.40) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL470693 0.84 GPR119 (0.31) DPP4
SCHEMBL12064577 0.80 DPP4 (0.43) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL470576 0.79 DPP4 (0.41) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL12064788 0.78 DPP4 (0.40) DPP4DPP8DPP9DPP7MCHR1
SCHEMBL470633 0.76 DPP4 (0.41) DPP4DPP8DPP9DPP7MCHR1

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