SCHEMBL4702960

SCHEMBL4702960

C#CC1CCC(C#N)N1C(=O)CNCCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.52
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 2/20 0.43
DPP8 Q6V1X1 1/20 0.43

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
SCHEMBL647957 1.00 DPP4 (0.52) DPP4DPP9DPP7DPP8
SCHEMBL647959 0.76 DPP4 (0.53) DPP4DPP9
SCHEMBL648398 0.76 DPP4 (0.50) DPP4DPP9
SCHEMBL646521 0.75 DPP4 (0.61) DPP4
SCHEMBL646728 0.72 DPP4 (0.59) DPP4DPP9DPP7DPP8
SCHEMBL647213 0.71 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL646369 0.71 DPP4 (0.89) DPP4DPP9DPP8
SCHEMBL1380732 0.71 DPP4 (0.89) DPP4DPP9DPP8
SCHEMBL645964 0.70 DPP4 (0.68) DPP4
SCHEMBL4983693 0.70 DPP4 (0.60) DPP4DPP8

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-1560811-B9 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2008-03-05 EP disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed