SCHEMBL6530405

SCHEMBL6530405

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.60
DPP8 Q6V1X1 2/20 0.60
DPP7 Q9UHL4 2/20 0.60
EPHX2 P34913 1/20 0.48
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
UCHL1 P09936 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN4A P35499 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6530105 1.00 DPP4 (0.60) DPP4DPP8DPP7EPHX2HSD17B10
SCHEMBL6530822 0.89 DPP4 (0.51) DPP4DPP8DPP7EPHX2HSD17B10
SCHEMBL6529896 0.86 DPP4 (0.59) DPP4DPP8DPP7EPHX2HSD17B10
SCHEMBL6532846 0.83 ALDH1A1 (0.50) DPP4DPP8DPP7EPHX2HSD17B10
SCHEMBL6532278 0.82 PKM (0.52) DPP4DPP8DPP7EPHX2HSD17B10
SCHEMBL6533469 0.81 HSD17B10 (0.44) DPP4DPP8DPP7EPHX2HSD17B10
SCHEMBL6531148 0.81 DPP4 (0.72) DPP4DPP8DPP7ALDH1A1SMN1; SMN2
SCHEMBL6528004 0.81 DPP4 (0.69) DPP4DPP8DPP7SMN1; SMN2L3MBTL1
SCHEMBL6532752 0.80 USP30 (0.50) EPHX2HSD17B10ALDH1A1NPC1TSHR
SCHEMBL24928349 0.79 DPP4 (0.58) DPP4DPP8DPP7SMN1; SMN2LMNA

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