SCHEMBL6532446

SCHEMBL6532446

Cc1noc(C(=O)[C@@H]2CCCN2C(=O)CBr)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.47
DPP8 Q6V1X1 8/20 0.47
DPP7 Q9UHL4 7/20 0.47
FABP4 P15090 2/20 0.36
FABP5 Q01469 2/20 0.36
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL16945632 0.82 DPP4 (0.41) DPP4DPP8DPP7FABP4FABP5
SCHEMBL16945696 0.81 DPP4 (0.40) DPP4DPP8DPP7FABP4FABP5
SCHEMBL6530776 0.80 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL6529234 0.79 HSD17B10 (0.47) DPP4LMNASMN1; SMN2
SCHEMBL6532165 0.79 DPP4 (0.67) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6531563 0.77 DPP4 (0.70) DPP4DPP8DPP7CNR1CNR2
SCHEMBL6527898 0.76 DPP4 (0.50) DPP4DPP8DPP7
SCHEMBL6533255 0.75 DPP4 (0.56) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6533252 0.75 DPP4 (0.56) DPP4DPP8DPP7LMNARAB9A
SCHEMBL6528004 0.74 DPP4 (0.69) 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