SCHEMBL6689672

SCHEMBL6689672

CC(C)(C)OC(=O)Nc1ccc(C=CC(CC(=O)N2CCC[C@H]2C#N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.46
DPP7 Q9UHL4 2/20 0.44
PREP P48147 3/20 0.42
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL6689668 1.00 DPP4 (0.46) DPP4DPP7PREPDPP8DPP9
SCHEMBL6686147 0.91 DPP4 (0.44) DPP4DPP7PREPDPP8DPP9
SCHEMBL6686150 0.91 DPP4 (0.44) DPP4DPP7PREPDPP8DPP9
SCHEMBL6693374 0.90 DPP4 (0.49) DPP4DPP7PREPDPP8DPP9
SCHEMBL6685067 0.88 DPP4 (0.46) DPP4DPP7PREPDPP8DPP9
SCHEMBL6685059 0.88 DPP4 (0.46) DPP4DPP7PREPDPP8DPP9
SCHEMBL6685659 0.85 DPP4 (0.43) DPP4DPP7PREPDPP8DPP9
SCHEMBL6685656 0.85 DPP4 (0.43) DPP4DPP7PREPDPP8DPP9
SCHEMBL6690176 0.84 PREP (0.52) DPP4DPP7PREPDPP8DPP9
SCHEMBL6691626 0.83 DPP4 (0.45) DPP4PREPDPP8DPP9KLK5

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