SCHEMBL6684482

SCHEMBL6684482

Cc1cccc(C[C@@H](N)CC(=O)N2CCC[C@H]2C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58
DPP8 Q6V1X1 12/20 0.57
DPP9 Q86TI2 10/20 0.57
DPP7 Q9UHL4 7/20 0.57
FAP Q12884 5/20 0.57

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
SCHEMBL6685328 0.83 DPP4 (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL6688077 0.81 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL6689703 0.81 DPP4 (0.72) DPP4DPP8DPP9DPP7FAP
SCHEMBL6688921 0.79 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL6686205 0.78 DPP4 (0.62) DPP4DPP8DPP9DPP7FAP
SCHEMBL6692186 0.78 DPP4 (0.62) DPP4DPP8DPP9DPP7FAP
SCHEMBL6686202 0.78 DPP4 (0.61) DPP4DPP8DPP9DPP7
SCHEMBL6685461 0.77 PREP (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL6693335 0.77 DPP4 (0.65) DPP4DPP8DPP9DPP7FAP
SCHEMBL5228430 0.77 DPP4 (0.73) 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