SCHEMBL6528898

SCHEMBL6528898

COCOCC(C)(C)NCC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.75
DPP8 Q6V1X1 9/20 0.75
DPP7 Q9UHL4 9/20 0.75
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 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
SCHEMBL6529702 0.92 DPP4 (0.81) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6527981 0.86 DPP4 (0.57) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6531765 0.86 DPP4 (1.00) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6529460 0.86 DPP4 (0.68) DPP4DPP8DPP7
SCHEMBL6531965 0.85 DPP4 (0.82) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6532895 0.84 DPP4 (0.75) DPP4DPP8DPP7
SCHEMBL6530130 0.84 DPP4 (0.54) DPP4DPP8DPP7
SCHEMBL6528894 0.84 DPP4 (0.52) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6528678 0.83 DPP4 (0.80) DPP4DPP8DPP7
SCHEMBL6530567 0.83 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