SCHEMBL6692019

SCHEMBL6692019

CC(C)(C)OC(=O)NC(CC(=O)N1CCCC1C#N)CC(C)(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.53
DPP8 Q6V1X1 3/20 0.53
PREP P48147 5/20 0.49
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL6692023 1.00 DPP4 (0.53) DPP4DPP8PREPKLK5
SCHEMBL6691973 0.85 PREP (0.61) DPP4DPP8PREPKLK5
SCHEMBL6691971 0.85 PREP (0.61) DPP4DPP8PREPKLK5
SCHEMBL6693361 0.84 KLK5 (0.54) DPP4KLK5
SCHEMBL6693358 0.84 KLK5 (0.54) DPP4KLK5
SCHEMBL6684495 0.81 DPP4 (0.57) DPP4DPP8PREP
SCHEMBL6684500 0.81 DPP4 (0.57) DPP4DPP8PREP
SCHEMBL6689969 0.80 DPP4 (0.50) DPP4DPP8PREPKLK5
SCHEMBL6689961 0.80 DPP4 (0.50) DPP4DPP8PREPKLK5
SCHEMBL6689964 0.80 DPP4 (0.50) DPP4DPP8PREPKLK5

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