SCHEMBL6691973

SCHEMBL6691973

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.61
DPP4 P27487 12/20 0.52
DPP8 Q6V1X1 3/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
KLK5 Q9Y337 1/20 0.49
ACE P12821 1/20 0.48
CMA1 P23946 1/20 0.46

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
SCHEMBL6691971 1.00 PREP (0.61) PREPDPP4DPP8DPP9DPP7
SCHEMBL13444798 0.87 PREP (0.67) PREPDPP4DPP8DPP9DPP7
SCHEMBL3548960 0.87 PREP (0.67) PREPDPP4DPP8DPP9DPP7
SCHEMBL6692626 0.85 KLK5 (0.56) PREPKLK5ACECMA1
SCHEMBL6692625 0.85 KLK5 (0.56) PREPKLK5ACECMA1
SCHEMBL6692019 0.85 DPP4 (0.53) PREPDPP4DPP8KLK5
SCHEMBL6692023 0.85 DPP4 (0.53) PREPDPP4DPP8KLK5
SCHEMBL13034908 0.82 PREP (0.65) PREPDPP4DPP8DPP9DPP7
SCHEMBL5352644 0.80 PREP (0.62) PREPDPP4DPP8DPP9DPP7
SCHEMBL6690249 0.80 PREP (0.63) PREPDPP4DPP8DPP9DPP7

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-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed