SCHEMBL6684495

SCHEMBL6684495

CC(C)(CC(N)CC(=O)N1CCC[C@H]1C#N)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.57
DPP8 Q6V1X1 11/20 0.57
DPP9 Q86TI2 3/20 0.53
DPP7 Q9UHL4 3/20 0.53
PREP P48147 1/20 0.50
FAP Q12884 2/20 0.49

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
SCHEMBL6684500 1.00 DPP4 (0.57) DPP4DPP8DPP9DPP7PREP
SCHEMBL6692023 0.81 DPP4 (0.53) DPP4DPP8PREP
SCHEMBL6692019 0.81 DPP4 (0.53) DPP4DPP8PREP
SCHEMBL6686205 0.79 DPP4 (0.62) DPP4DPP8DPP9DPP7PREP
SCHEMBL6692186 0.79 DPP4 (0.62) DPP4DPP8DPP9DPP7PREP
SCHEMBL6686202 0.79 DPP4 (0.61) DPP4DPP8DPP9DPP7PREP
SCHEMBL6692174 0.77 DPP4 (0.58) DPP4DPP8DPP9DPP7PREP
SCHEMBL6692172 0.77 DPP4 (0.53) DPP4DPP8DPP9DPP7PREP
SCHEMBL6692175 0.77 DPP4 (0.53) DPP4DPP8DPP9DPP7PREP
SCHEMBL3551846 0.76 DPP4 (0.70) DPP4DPP8DPP9DPP7FAP

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