SCHEMBL6690176

SCHEMBL6690176

COc1cccc(C=CC(CC(=O)N2CCC[C@H]2C#N)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.52
DPP4 P27487 13/20 0.48
DPP8 Q6V1X1 5/20 0.48
KLK5 Q9Y337 1/20 0.42
FAP Q12884 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CACNA1B Q00975 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
SCHEMBL6685656 0.90 DPP4 (0.43) PREPDPP4DPP8KLK5DPP9
SCHEMBL6685659 0.90 DPP4 (0.43) PREPDPP4DPP8KLK5DPP9
SCHEMBL6693374 0.90 DPP4 (0.49) PREPDPP4DPP8KLK5FAP
SCHEMBL6687415 0.88 PREP (0.53) PREPDPP4DPP8FAPDPP9
SCHEMBL6685074 0.87 NPC1 (0.43) PREPDPP4DPP8KLK5DPP9
SCHEMBL6685077 0.87 NPC1 (0.43) PREPDPP4DPP8KLK5DPP9
SCHEMBL6686147 0.85 DPP4 (0.44) PREPDPP4DPP8KLK5FAP
SCHEMBL6686150 0.85 DPP4 (0.44) PREPDPP4DPP8KLK5FAP
SCHEMBL6689730 0.84 DPP4 (0.44) PREPDPP4DPP8KLK5
SCHEMBL6689672 0.84 DPP4 (0.46) PREPDPP4DPP8KLK5DPP9

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