SCHEMBL6529519

SCHEMBL6529519

CC(C)(CO)NCC(=O)N1CCCC1C(=O)c1nnc(C2CCCCC2)o1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.74
DPP8 Q6V1X1 10/20 0.74
DPP7 Q9UHL4 10/20 0.74
PKM P14618 1/20 0.54
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
PDK2 Q15119 1/20 0.37

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
SCHEMBL6530305 0.91 DPP4 (0.72) DPP4DPP8DPP7PKMLMNA
SCHEMBL6529125 0.90 DPP4 (0.61) DPP4DPP8DPP7PKMLMNA
SCHEMBL6527981 0.87 DPP4 (0.57) DPP4DPP8DPP7PKMLMNA
SCHEMBL6531765 0.85 DPP4 (1.00) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530714 0.82 PKM (0.57) DPP4DPP8DPP7PKMLMNA
SCHEMBL6533500 0.82 DPP4 (0.71) DPP4DPP8DPP7PKMLMNA
SCHEMBL6529703 0.81 DPP4 (0.73) DPP4DPP8DPP7PKMLMNA
SCHEMBL6530464 0.81 DPP4 (0.77) DPP4DPP8DPP7PKM
SCHEMBL6531133 0.80 DPP4 (0.71) DPP4DPP8DPP7
SCHEMBL6530486 0.78 DPP4 (0.71) DPP4DPP8DPP7LMNARAB9A

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