SCHEMBL8207574

SCHEMBL8207574

C#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(C)c1=O

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.82
OPRM1 P35372 1/20 0.82
OPRK1 P41145 1/20 0.82
DPP8 Q6V1X1 1/20 0.65

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
Alogliptin SCHEMBL174188 0.90 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL17036596 0.90 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL29352995 0.90 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL121028 0.90 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL475872 0.89 DPP4 (0.98) DPP4OPRM1OPRK1DPP8
Alogliptin SCHEMBL17781892 0.89 DPP4 (0.98) DPP4OPRM1OPRK1DPP8
SCHEMBL389898 0.88 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
SCHEMBL389897 0.88 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
SCHEMBL23712233 0.87 DPP4 (1.00) DPP4OPRM1OPRK1DPP8
SCHEMBL391800 0.87 DPP4 (1.00) DPP4OPRM1OPRK1DPP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213289-A1 Combination treatment for diabetes mellitus Nycomed GmbH (DE) 2010-08-04 EP disclosed
WO-2008028914-A1 COMBINATION TREATMENT FOR DIABETES MELLITUS NYCOMED GMBH (DE) 2008-03-13 WO disclosed