SCHEMBL4606934

SCHEMBL4606934

Cc1[nH]c(-c2ccccn2)nc1CC(C)(C)NCC(=O)N1CCCC1C#N

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
DPP7 Q9UHL4 3/20 0.51
DPP8 Q6V1X1 3/20 0.49
DPP9 Q86TI2 3/20 0.49

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
SCHEMBL664983 1.00 DPP4 (0.59) DPP4DPP7DPP8DPP9
SCHEMBL666791 0.88 DPP4 (0.66) DPP4DPP7DPP8DPP9
SCHEMBL4603607 0.88 DPP4 (0.66) DPP4DPP7DPP8DPP9
SCHEMBL4605498 0.86 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL665563 0.86 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL664911 0.86 DPP4 (0.60) DPP4DPP7DPP8
SCHEMBL1437361 0.86 DPP4 (0.60) DPP4DPP7DPP8
SCHEMBL666313 0.85 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL4602818 0.85 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL6923164 0.85 DPP4 (0.56) DPP4DPP7DPP8DPP9

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