SCHEMBL7422812

SCHEMBL7422812

CC(C)(C)OC(=O)CCC(N)C(=O)N1CC=CC1C#N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.35
DPP8 Q6V1X1 16/20 0.35
DPP7 Q9UHL4 10/20 0.34
DPP9 Q86TI2 3/20 0.34
FAP Q12884 2/20 0.34
CTSK P43235 1/20 0.33

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
SCHEMBL6175639 1.00 DPP4 (0.35) DPP4DPP8DPP7DPP9FAP
SCHEMBL7418737 0.82 DPP7 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL6492871 0.82 DPP7 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL6165300 0.82 DPP7 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL6171746 0.81 DPP7 (0.44) DPP4DPP8DPP7DPP9
SCHEMBL7189181 0.78 DPP4 (0.40) DPP4DPP8DPP7DPP9FAP
SCHEMBL6174600 0.78 DPP4 (0.40) DPP4DPP8DPP7DPP9FAP
SCHEMBL6174604 0.78 DPP4 (0.40) DPP4DPP8DPP7DPP9FAP
SCHEMBL6167493 0.78 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP
SCHEMBL7183513 0.78 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254113-A1 N-SUBSTITUTED 2-CYANOPYROLES AND -PYRROLINES WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2002-11-06 EP disclosed
WO-2001055105-A1 N-SUBSTITUTED 2-CYANOPYROLES AND -PYRROLINES WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2001-08-02 WO disclosed