SCHEMBL4603591

SCHEMBL4603591

Cc1nc(-c2cnccn2)nn1CCC(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.50
DPP9 Q86TI2 9/20 0.50
DPP8 Q6V1X1 6/20 0.50
FAP Q12884 1/20 0.50
PREP P48147 1/20 0.45

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
SCHEMBL666620 1.00 DPP4 (0.50) DPP4DPP9DPP8FAPPREP
SCHEMBL666210 0.86 DPP4 (0.53) DPP4DPP9DPP8FAP
SCHEMBL4604986 0.86 DPP4 (0.51) DPP4DPP9DPP8FAP
SCHEMBL666768 0.86 DPP4 (0.51) DPP4DPP9DPP8FAP
SCHEMBL4820099 0.82 PREP (0.38) DPP4DPP9DPP8FAPPREP
SCHEMBL4603612 0.77 DPP4 (0.55) DPP4DPP9DPP8FAP
SCHEMBL666762 0.77 DPP4 (0.55) DPP4DPP9DPP8FAP
SCHEMBL666318 0.77 DPP4 (0.53) DPP4DPP9DPP8
SCHEMBL4603345 0.77 DPP4 (0.53) DPP4DPP9DPP8
SCHEMBL665519 0.77 DPP4 (0.55) DPP4DPP9DPP8PREP

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-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed