SCHEMBL6685656

SCHEMBL6685656

Cc1cccc(/C=C/C(CC(=O)N2CCCC2C#N)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.43
DPP8 Q6V1X1 6/20 0.43
PREP P48147 5/20 0.42
KLK5 Q9Y337 1/20 0.41
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL6685659 1.00 DPP4 (0.43) DPP4DPP8PREPKLK5DPP9
SCHEMBL6690176 0.90 PREP (0.52) DPP4DPP8PREPKLK5DPP9
SCHEMBL6686147 0.90 DPP4 (0.44) DPP4DPP8PREPKLK5DPP9
SCHEMBL6686150 0.90 DPP4 (0.44) DPP4DPP8PREPKLK5DPP9
SCHEMBL6685077 0.88 NPC1 (0.43) DPP4DPP8PREPKLK5DPP9
SCHEMBL6685074 0.88 NPC1 (0.43) DPP4DPP8PREPKLK5DPP9
SCHEMBL6693374 0.85 DPP4 (0.49) DPP4DPP8PREPKLK5DPP9
SCHEMBL6691632 0.85 DPP4 (0.45) DPP4DPP8PREPKLK5DPP9
SCHEMBL6691626 0.85 DPP4 (0.45) DPP4DPP8PREPKLK5DPP9
SCHEMBL6689672 0.85 DPP4 (0.46) DPP4DPP8PREPKLK5DPP9

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