SCHEMBL6532093

SCHEMBL6532093

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)c1noc(C2(C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
DPP4 P27487 4/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
USP30 Q70CQ3 3/20 0.42
NPC1 O15118 1/20 0.41
HSD11B1 P28845 1/20 0.40
SCN4A P35499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UCHL1 P09936 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6530995 0.96 HSD17B10 (0.43) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6532912 0.85 DPP4 (0.48) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6527845 0.83 DPP4 (0.61) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6533019 0.82 DPP4 (0.61) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6532079 0.81 HSD17B10 (0.47) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6530702 0.81 HSD17B10 (0.46) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6528322 0.81 ALDH1A1 (0.48) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6533469 0.81 HSD17B10 (0.44) HSD17B10DPP4DPP8DPP7NPC1
SCHEMBL6510648 0.81 DPP4 (0.61) DPP4DPP8DPP7
SCHEMBL6531352 0.79 DPP4 (0.45) 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