SCHEMBL6685692

SCHEMBL6685692

CC(C)(C)OC(=O)NC(CC(=O)N1CCCC1C#N)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.46
DPP8 Q6V1X1 7/20 0.45
PREP P48147 6/20 0.44
DPP7 Q9UHL4 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
DPP9 Q86TI2 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
SCHEMBL6692042 0.83 DPP4 (0.46) DPP4DPP8PREPDPP9
SCHEMBL6687279 0.78 DPP4 (0.50) DPP4DPP8PREPDPP7DPP9
SCHEMBL5529957 0.77 DPP4 (0.59) DPP4DPP8PREPDPP7DPP9
SCHEMBL9129667 0.77 RET (0.45)
SCHEMBL739456 0.75 SUCNR1 (0.49) ITGB3ITGA2B
SCHEMBL739452 0.75 SUCNR1 (0.49) ITGB3ITGA2B
SCHEMBL6692023 0.75 DPP4 (0.53) DPP4DPP8PREP
SCHEMBL6689969 0.75 DPP4 (0.50) DPP4DPP8PREP
SCHEMBL6692019 0.75 DPP4 (0.53) DPP4DPP8PREP
SCHEMBL6689961 0.75 DPP4 (0.50) DPP4DPP8PREP

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