SCHEMBL6530558

SCHEMBL6530558

CC(C)(C)c1nnc(C(=O)C2CSCN2)o1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
ELANE P08246 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
SCHEMBL6530560 1.00 DPP4 (0.38) DPP4DPP8DPP7ELANE
SCHEMBL4316747 0.79 ELANE (0.45) DPP4DPP8DPP7ELANE
SCHEMBL4316755 0.79 ELANE (0.45) DPP4DPP8DPP7ELANE
SCHEMBL4316752 0.79 ELANE (0.45) DPP4DPP8DPP7ELANE
SCHEMBL6532370 0.68 DPP4 (0.49) DPP4DPP8DPP7ELANE
SCHEMBL12734314 0.66 DPP4 (0.37) DPP4DPP8DPP7ELANE
SCHEMBL8840142 0.66 PTPN1 (0.39) DPP4DPP8DPP7ELANE
SCHEMBL24928349 0.65 DPP4 (0.58) DPP4DPP8DPP7ELANE
SCHEMBL2678471 0.65 DPP4 (0.36) DPP4DPP8DPP7ELANE
SCHEMBL11122946 0.65

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