SCHEMBL6277989

SCHEMBL6277989

N#Cc1ccccc1Cn1c(N2CCCC(N)C2)cc(=O)n(Cc2ccc(-n3cccn3)cc2)c1=O.N#Cc1ccccc1Cn1c(N2CCCC(N)C2)cc(=O)n(Cc2cccc(-n3cccc3)c2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56

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
SCHEMBL390262 0.94 DPP4 (0.77) DPP4OPRM1OPRK1
SCHEMBL390263 0.94 DPP4 (0.77) DPP4OPRM1OPRK1
SCHEMBL392302 0.91 DPP4 (0.79) DPP4OPRM1OPRK1
SCHEMBL390614 0.91 DPP4 (0.79) DPP4OPRM1OPRK1
SCHEMBL6129236 0.85 DPP4 (0.63) DPP4OPRM1OPRK1
SCHEMBL8245262 0.84 DPP4 (0.60) DPP4OPRM1OPRK1
SCHEMBL8242660 0.81 DPP4 (0.61) DPP4OPRM1OPRK1
SCHEMBL391598 0.81 DPP4 (0.89) DPP4OPRM1OPRK1
SCHEMBL391597 0.81 DPP4 (0.89) DPP4OPRM1OPRK1
SCHEMBL386746 0.80 DPP4 (0.92) DPP4OPRM1OPRK1

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-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 WO claimed