SCHEMBL6530156

SCHEMBL6530156

CC(C)(C)NCC(=O)N1C[C@@H](F)CC1C(=O)c1nnc(C2CCCCC2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP7 Q9UHL4 8/20 0.67
DPP8 Q6V1X1 8/20 0.59
PKM P14618 1/20 0.42

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
SCHEMBL6532303 0.87 DPP4 (0.76) DPP4DPP7DPP8PKM
SCHEMBL6530305 0.84 DPP4 (0.72) DPP4DPP7DPP8PKM
SCHEMBL6532173 0.83 DPP4 (0.83) DPP4DPP7DPP8
SCHEMBL6508690 0.80 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6534109 0.78 DPP4 (0.66) DPP4DPP7DPP8
SCHEMBL6529519 0.75 DPP4 (0.74) DPP4DPP7DPP8PKM
SCHEMBL6529422 0.74 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL6528045 0.74 DPP4 (0.78) DPP4DPP7DPP8
SCHEMBL6529125 0.74 DPP4 (0.61) DPP4DPP7DPP8PKM
SCHEMBL6529867 0.72 DPP4 (0.84) DPP4DPP7DPP8

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