SCHEMBL6693374

SCHEMBL6693374

COc1ccc(C=CC(CC(=O)N2CCC[C@H]2C#N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.49
DPP8 Q6V1X1 5/20 0.49
DPP9 Q86TI2 2/20 0.47
FAP Q12884 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
PREP P48147 4/20 0.45
KLK5 Q9Y337 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
SCHEMBL6686147 0.91 DPP4 (0.44) DPP4DPP8DPP9FAPDPP7
SCHEMBL6686150 0.91 DPP4 (0.44) DPP4DPP8DPP9FAPDPP7
SCHEMBL6690176 0.90 PREP (0.52) DPP4DPP8DPP9FAPDPP7
SCHEMBL6689668 0.90 DPP4 (0.46) DPP4DPP8DPP9DPP7PREP
SCHEMBL6689672 0.90 DPP4 (0.46) DPP4DPP8DPP9DPP7PREP
SCHEMBL6685067 0.88 DPP4 (0.46) DPP4DPP8DPP9DPP7PREP
SCHEMBL6685059 0.88 DPP4 (0.46) DPP4DPP8DPP9DPP7PREP
SCHEMBL6689730 0.85 DPP4 (0.44) DPP4DPP8PREPKLK5
SCHEMBL6685656 0.85 DPP4 (0.43) DPP4DPP8DPP9DPP7PREP
SCHEMBL6685659 0.85 DPP4 (0.43) DPP4DPP8DPP9DPP7PREP

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