SCHEMBL6512307

SCHEMBL6512307

CC1(c2nc(C(=O)C3CCCN3C(=O)CN(CO)C3CCCC3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.45
DPP8 Q6V1X1 8/20 0.45
DPP7 Q9UHL4 8/20 0.45
CNR2 P34972 1/20 0.34
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL6530537 0.85 DPP4 (0.61) DPP4DPP8DPP7
SCHEMBL6510510 0.82 DPP4 (0.45) DPP4DPP8DPP7
SCHEMBL6530400 0.79 DPP4 (0.48) DPP4DPP8DPP7CNR2DPP9
SCHEMBL6510648 0.78 DPP4 (0.61) DPP4DPP8DPP7CNR2DPP9
SCHEMBL6531210 0.78 DPP4 (0.55) DPP4DPP8DPP7CNR2DPP9
SCHEMBL6532358 0.78 DPP4 (0.74) DPP4DPP8DPP7DPP9
SCHEMBL6528683 0.76 DPP4 (0.54) DPP4DPP8DPP7CNR2DPP9
SCHEMBL6532093 0.75 HSD17B10 (0.45) DPP4DPP8DPP7
SCHEMBL6530995 0.71 HSD17B10 (0.43) DPP4DPP8DPP7
SCHEMBL6528448 0.68 DPP4 (0.54) DPP4DPP8DPP7CNR2DPP9

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