SCHEMBL8324710

SCHEMBL8324710

CN(CC#N)C(=O)C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.50
DPP9 Q86TI2 2/20 0.50
SCN4A P35499 1/20 0.44
GLI1 P08151 1/20 0.40
PRCP P42785 1/20 0.37
PFKFB2 O60825 1/20 0.37
PFKFB1 P16118 1/20 0.37
PFKFB3 Q16875 1/20 0.37
CTSC P53634 2/20 0.36

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
SCHEMBL7749879 0.85 SCN4A (0.46) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL7749876 0.85 SCN4A (0.46) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL3330058 0.80 SCN4A (0.49) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL4579452 0.77 SCN4A (0.47) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL4579448 0.77 SCN4A (0.47) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL14537859 0.77 SCN4A (0.47) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL8788154 0.77 SCN4A (0.47) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL29772688 0.77 SCN4A (0.47) DPP4DPP9SCN4AGLI1PRCP
SCHEMBL16557813 0.76 DPP4 (0.37) DPP4DPP9SCN4APRCPPFKFB2
SCHEMBL8294324 0.75 DPP4 (0.50) DPP4DPP9SCN4APRCPPFKFB2

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-1553937-B1 GLYCINENITRILE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV BRISTOL MYERS SQUIBB CO (US) 2010-06-02 EP disclosed
WO-2004037181-A2 GLYCINENITRILE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-06 WO disclosed