SCHEMBL6509032

SCHEMBL6509032

O=C(c1noc(C2CCCC2)n1)C1CCCN1C(=O)CNC1(CO)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.53
DPP8 Q6V1X1 7/20 0.49
DPP7 Q9UHL4 7/20 0.49
PKM P14618 1/20 0.36
CPT1A P50416 2/20 0.35
CPT2 P23786 1/20 0.34
KCNH2 Q12809 1/20 0.33
SMO Q99835 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
SCHEMBL6530546 0.86 DPP4 (0.71) DPP4DPP8DPP7
SCHEMBL6531210 0.84 DPP4 (0.55) DPP4DPP8DPP7
SCHEMBL6527825 0.84 DPP4 (0.70) DPP4DPP8DPP7
SCHEMBL6528683 0.83 DPP4 (0.54) DPP4DPP8DPP7
SCHEMBL6510532 0.82 DPP4 (0.60) DPP4DPP8DPP7
SCHEMBL6531187 0.80 DPP4 (0.57) DPP4DPP8DPP7
SCHEMBL6510062 0.80 DPP4 (0.63) DPP4DPP8DPP7PKMCPT1A
SCHEMBL6530464 0.80 DPP4 (0.77) DPP4DPP8DPP7PKMCPT1A
SCHEMBL6529820 0.77 DPP4 (0.47) DPP4DPP8DPP7
SCHEMBL6514688 0.77 DPP4 (0.64) DPP4DPP8DPP7PKM

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