SCHEMBL6533255

SCHEMBL6533255

COCC(C)(C)c1nc(C(=O)C2CCCN2C(=O)CBr)no1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.56
DPP8 Q6V1X1 11/20 0.56
DPP7 Q9UHL4 11/20 0.56
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP9 Q86TI2 2/20 0.33
PKM P14618 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6533252 1.00 DPP4 (0.56) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6532733 0.93 DPP4 (0.54) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6531563 0.88 DPP4 (0.70) DPP4DPP8DPP7DPP9CNR1
SCHEMBL6529872 0.86 DPP4 (0.71) DPP4DPP8DPP7
SCHEMBL6531187 0.81 DPP4 (0.57) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6530776 0.80 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL6529051 0.79 DPP4 (0.49) DPP4DPP8DPP7SMN1; SMN2
SCHEMBL6529052 0.79 DPP4 (0.49) DPP4DPP8DPP7SMN1; SMN2
SCHEMBL6531569 0.79 DPP4 (0.82) DPP4DPP8DPP7DPP9
SCHEMBL6527898 0.78 DPP4 (0.50) 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