SCHEMBL6529428

SCHEMBL6529428

CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.66
DPP8 Q6V1X1 7/20 0.66
DPP7 Q9UHL4 7/20 0.66
HDAC4 P56524 4/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HSD11B1 P28845 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CA P42336 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL6529292 1.00 DPP4 (0.66) DPP4DPP8DPP7HDAC4HDAC6
SCHEMBL6529447 0.88 DPP4 (0.51) DPP4DPP8DPP7HSD11B1PIK3CA
SCHEMBL6531352 0.81 DPP4 (0.45) DPP4DPP8DPP7
SCHEMBL6507359 0.80 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6532393 0.80 DPP4 (0.61) DPP4DPP8DPP7HSD11B1CYP1A2
SCHEMBL6533019 0.80 DPP4 (0.61) DPP4DPP8DPP7POLB
SCHEMBL6530249 0.80 DPP4 (0.61) DPP4DPP8DPP7HSD11B1CYP1A2
SCHEMBL6529685 0.77 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6530998 0.74 DPP4 (0.76) DPP4DPP8DPP7
SCHEMBL6531069 0.74 DPP4 (0.70) 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