SCHEMBL6528326

SCHEMBL6528326

CCC(C)(C)c1nc(C(=O)C2C[C@H](F)CN2C(=O)CNC(C)(C)CNc2ccc(S(=O)(=O)N(C)C)cn2)no1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.54
DPP7 Q9UHL4 8/20 0.54
DPP8 Q6V1X1 8/20 0.54

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
SCHEMBL6513179 0.84 DPP4 (0.60) DPP4DPP7DPP8
SCHEMBL6529245 0.83 DPP4 (0.62) DPP4DPP7DPP8
SCHEMBL6531774 0.79 DPP4 (0.84) DPP4DPP7DPP8
SCHEMBL6532994 0.78 DPP4 (0.61) DPP4DPP7DPP8
SCHEMBL1072278 0.77 DPP4 (0.61) DPP4
SCHEMBL1833834 0.77 DPP4 (0.61) DPP4
SCHEMBL6527864 0.72 DPP4 (0.63) DPP4DPP7DPP8
SCHEMBL6529685 0.72 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6531000 0.71 DPP4 (0.59) DPP4DPP7DPP8
SCHEMBL6509285 0.71 DPP4 (0.60) DPP4DPP7DPP8

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