SCHEMBL8245262

SCHEMBL8245262

Nc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(-n3cccn3)cc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.60
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL390263 0.90 DPP4 (0.77) DPP4OPRM1OPRK1
SCHEMBL390262 0.90 DPP4 (0.77) DPP4OPRM1OPRK1
SCHEMBL8288051 0.86 DPP4 (0.70) DPP4OPRM1OPRK1
SCHEMBL6277989 0.84 DPP4 (0.68) DPP4OPRM1OPRK1
SCHEMBL8234697 0.82 DPP4 (0.75) DPP4OPRM1OPRK1
SCHEMBL8245744 0.82 DPP4 (0.66) DPP4OPRM1OPRK1
SCHEMBL8242660 0.81 DPP4 (0.61) DPP4OPRM1OPRK1
SCHEMBL6129236 0.81 DPP4 (0.63) DPP4OPRM1OPRK1
SCHEMBL8234694 0.78 DPP4 (0.71) DPP4OPRM1OPRK1
SCHEMBL8245589 0.78 DPP4 (0.66) DPP4

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
WO-2007035629-A2 PROCESS FOR THE PREPARATION OF PYRIMIDINEDIONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 WO disclosed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 WO disclosed