SCHEMBL6530653

SCHEMBL6530653

CC(C)(CO)NCC(=O)N1CCCC1C(=O)c1noc(C(C)(C)C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 11/20 1.00
DPP7 Q9UHL4 10/20 1.00
DPP9 Q86TI2 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
SCHEMBL6531569 0.90 DPP4 (0.82) DPP4DPP8DPP7DPP9
SCHEMBL6528758 0.89 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL6532961 0.88 DPP4 (0.79) DPP4DPP8DPP7DPP9
SCHEMBL6528164 0.87 DPP4 (0.78) DPP4DPP8DPP7DPP9
SCHEMBL6530464 0.86 DPP4 (0.77) DPP4DPP8DPP7
SCHEMBL6532895 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9
SCHEMBL6530636 0.85 DPP4 (0.74) DPP4DPP8DPP7DPP9
SCHEMBL6532358 0.84 DPP4 (0.74) DPP4DPP8DPP7DPP9
SCHEMBL6529872 0.83 DPP4 (0.71) DPP4DPP8DPP7
SCHEMBL6532652 0.83 DPP4 (0.72) 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