SCHEMBL6532324

SCHEMBL6532324

Cc1nnc(C(=O)[C@@H]2CSCN2C(=O)CBr)o1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.65
DPP8 Q6V1X1 8/20 0.65
DPP7 Q9UHL4 8/20 0.65
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ACE P12821 1/20 0.32
PREP P48147 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6532370 0.85 DPP4 (0.49) DPP4DPP8DPP7HSD17B10KDM4E
SCHEMBL6532165 0.80 DPP4 (0.67) DPP4DPP8DPP7
SCHEMBL6530574 0.79 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6529836 0.79 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6511786 0.75 DPP4 (0.83) DPP4DPP8DPP7
SCHEMBL6527433 0.68 DPP4 (0.56) DPP4DPP8DPP7
SCHEMBL6528004 0.65 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL6530301 0.65 DPP4 (0.50) DPP4DPP8DPP7ALDH1A1
SCHEMBL6530229 0.65 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL6530580 0.64 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