SCHEMBL6691632

SCHEMBL6691632

Cc1ccccc1C=CC(CC(=O)N1CCC[C@H]1C#N)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.45
PREP P48147 5/20 0.45
DPP8 Q6V1X1 4/20 0.44
FAP Q12884 1/20 0.43
DPP9 Q86TI2 1/20 0.43
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
SCHEMBL6691626 1.00 DPP4 (0.45) DPP4PREPDPP8FAPDPP9
SCHEMBL6691637 1.00 DPP4 (0.45) DPP4PREPDPP8FAPDPP9
SCHEMBL6689730 0.90 DPP4 (0.44) DPP4PREPDPP8KLK5
SCHEMBL6687436 0.88 MAPK1 (0.45) DPP4PREPDPP8KLK5
SCHEMBL6687433 0.88 MAPK1 (0.45) DPP4PREPDPP8KLK5
SCHEMBL6686147 0.86 DPP4 (0.44) DPP4PREPDPP8FAPDPP9
SCHEMBL6686150 0.86 DPP4 (0.44) DPP4PREPDPP8FAPDPP9
SCHEMBL6685659 0.85 DPP4 (0.43) DPP4PREPDPP8DPP9KLK5
SCHEMBL6685656 0.85 DPP4 (0.43) DPP4PREPDPP8DPP9KLK5
SCHEMBL6689672 0.83 DPP4 (0.46) 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