SCHEMBL6517772

SCHEMBL6517772

CC(C)(C)NCC(=O)N1CCCC1C(=O)c1nnc(C2(C)CC2)o1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.59
DPP8 Q6V1X1 12/20 0.59
DPP7 Q9UHL4 11/20 0.59
DPP9 Q86TI2 1/20 0.44
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL6512657 0.96 DPP4 (0.57) DPP4DPP8DPP7DPP9LMNA
SCHEMBL6529703 0.91 DPP4 (0.73) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6533500 0.87 DPP4 (0.71) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6532955 0.84 DPP4 (0.53) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530580 0.84 DPP4 (0.82) DPP4DPP8DPP7DPP9LMNA
SCHEMBL6531965 0.83 DPP4 (0.82) DPP4DPP8DPP7DPP9LMNA
SCHEMBL6510648 0.82 DPP4 (0.61) DPP4DPP8DPP7DPP9
SCHEMBL6530789 0.81 DPP4 (0.52) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530178 0.81 DPP4 (0.46) DPP4DPP8DPP7DPP9LMNA
SCHEMBL6529985 0.80 DPP4 (0.68) DPP4DPP8DPP7DPP9LMNA

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