SCHEMBL6532165

SCHEMBL6532165

Cc1nnc(C(=O)[C@@H]2CCCN2C(=O)CBr)o1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.67
DPP8 Q6V1X1 9/20 0.67
DPP7 Q9UHL4 9/20 0.67
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6530229 0.85 DPP4 (0.69) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6528004 0.85 DPP4 (0.69) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530301 0.85 DPP4 (0.50) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530580 0.83 DPP4 (0.82) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530714 0.82 PKM (0.57) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6509866 0.82 DPP4 (0.61) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6512238 0.81 DPP4 (0.60) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530178 0.80 DPP4 (0.46) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6532324 0.80 DPP4 (0.65) DPP4DPP8DPP7
SCHEMBL6529279 0.79 DPP4 (0.82) 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