SCHEMBL6533469

SCHEMBL6533469

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)c1nnc(C2(C)CC2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 3/20 0.43
EPHX2 P34913 1/20 0.43
DPP4 P27487 3/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6529896 0.82 DPP4 (0.59) HSD17B10ALDH1A1EPHX2DPP4DPP8
SCHEMBL6530405 0.81 DPP4 (0.60) HSD17B10ALDH1A1EPHX2DPP4DPP8
SCHEMBL6530105 0.81 DPP4 (0.60) HSD17B10ALDH1A1EPHX2DPP4DPP8
SCHEMBL6532093 0.81 HSD17B10 (0.45) HSD17B10ALDH1A1DPP4DPP8DPP7
SCHEMBL6517772 0.80 DPP4 (0.59) DPP4DPP8DPP7SMN1; SMN2LMNA
SCHEMBL6532846 0.80 ALDH1A1 (0.50) HSD17B10ALDH1A1EPHX2DPP4DPP8
SCHEMBL6532278 0.79 PKM (0.52) HSD17B10ALDH1A1EPHX2DPP4DPP8
SCHEMBL6530734 0.78 DPP4 (0.44) ALDH1A1DPP4DPP8DPP7L3MBTL1
SCHEMBL6530822 0.78 DPP4 (0.51) HSD17B10ALDH1A1EPHX2DPP4DPP8
SCHEMBL6529703 0.77 DPP4 (0.73) 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