SCHEMBL6508417

SCHEMBL6508417

CC(C)(C)CC(=O)N1C[C@@H](F)CC1C(=O)c1noc(C2(C)CCCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.52
DPP8 Q6V1X1 7/20 0.52
DPP7 Q9UHL4 7/20 0.52
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL6531352 0.85 DPP4 (0.45) DPP4DPP8DPP7
SCHEMBL6530400 0.71 DPP4 (0.48) DPP4DPP8DPP7SPHK1
SCHEMBL6531069 0.70 DPP4 (0.70) DPP4DPP8DPP7
SCHEMBL6530995 0.69 HSD17B10 (0.43) DPP4DPP8DPP7
SCHEMBL6528970 0.69 DPP4 (0.79) DPP4DPP8DPP7
SCHEMBL6509285 0.69 DPP4 (0.60) DPP4DPP8DPP7
SCHEMBL6507359 0.68 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6527864 0.68 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL6510648 0.67 DPP4 (0.61) DPP4DPP8DPP7
SCHEMBL6530734 0.67 DPP4 (0.44) 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