SCHEMBL6529245

SCHEMBL6529245

CN(C)S(=O)(=O)c1ccc(NCC(C)(C)NCC(=O)N2C[C@@H](F)CC2C(=O)c2nnc(C(C)(C)C)o2)nc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
DPP8 Q6V1X1 6/20 0.62
DPP7 Q9UHL4 6/20 0.59

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
SCHEMBL6529337 0.87 DPP4 (0.61) DPP4DPP8DPP7
SCHEMBL6510026 0.83 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL6528326 0.83 DPP4 (0.54) DPP4DPP8DPP7
SCHEMBL1072278 0.82 DPP4 (0.61) DPP4
SCHEMBL1833834 0.82 DPP4 (0.61) DPP4
SCHEMBL6532642 0.80 DPP4 (0.51) DPP4DPP8DPP7
SCHEMBL6529422 0.77 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6532173 0.76 DPP4 (0.83) DPP4DPP8DPP7
SCHEMBL6528045 0.74 DPP4 (0.78) DPP4DPP8DPP7
SCHEMBL6530567 0.73 DPP4 (0.76) 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