SCHEMBL6530301

SCHEMBL6530301

CCc1nnc(C(=O)[C@@H]2CCCN2C(=O)CBr)o1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.50
DPP8 Q6V1X1 7/20 0.50
DPP7 Q9UHL4 7/20 0.50
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL6532165 0.85 DPP4 (0.67) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530229 0.83 DPP4 (0.69) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6528004 0.83 DPP4 (0.69) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6532846 0.81 ALDH1A1 (0.50) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530714 0.81 PKM (0.57) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530052 0.79 DPP4 (0.79) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530178 0.78 DPP4 (0.46) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6527898 0.77 DPP4 (0.50) DPP4DPP8DPP7
SCHEMBL6532446 0.74 DPP4 (0.47) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530776 0.69 DPP4 (0.66) 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