SCHEMBL6532370

SCHEMBL6532370

CC(C)(C)c1nnc(C(=O)[C@@H]2CSCN2C(=O)CBr)o1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.49
DPP8 Q6V1X1 10/20 0.49
DPP7 Q9UHL4 10/20 0.49
ELANE P08246 1/20 0.32
PREP P48147 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACE P12821 1/20 0.30

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
SCHEMBL6532324 0.85 DPP4 (0.65) DPP4DPP8DPP7PREPKDM4E
SCHEMBL6527433 0.82 DPP4 (0.56) DPP4DPP8DPP7ELANE
SCHEMBL6530229 0.81 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL6528004 0.81 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL6530558 0.68 DPP4 (0.38) DPP4DPP8DPP7ELANE
SCHEMBL6530560 0.68 DPP4 (0.38) DPP4DPP8DPP7ELANE
SCHEMBL6531558 0.67 DPP4 (0.67) DPP4DPP8DPP7
SCHEMBL6529836 0.66 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6530574 0.66 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6531965 0.66 DPP4 (0.82) DPP4DPP8DPP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed