SCHEMBL4968564

SCHEMBL4968564

CC(C)(CCc1nc(-c2cccnc2)c[nH]1)NCC(=O)N1CCCC1C#N

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
DPP7 Q9UHL4 2/20 0.51
DPP8 Q6V1X1 4/20 0.48
DPP9 Q86TI2 3/20 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
SCHEMBL4593124 1.00 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL666318 0.81 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL4603345 0.81 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL666277 0.81 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL195631 0.80 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL29918628 0.80 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL2553750 0.80 DPP4 (0.54) DPP4DPP7DPP8DPP9
SCHEMBL4603612 0.80 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL666762 0.80 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL663076 0.80 DPP4 (0.61) 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-1966193-A1 NEW SALT AND POLYMORPH OF DPP-IV INHIBITOR F. Hoffmann-la Roche AG (CH) 2008-09-10 EP disclosed
WO-2007071576-A1 NEW SALT AND POLYMORPH OF DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO disclosed