SCHEMBL6201221

SCHEMBL6201221

C#CC1CCC(C#N)N1C(=O)CNC1(Oc2cccc(C#N)c2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.49
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL648355 1.00 DPP4 (0.49) DPP4DPP9
SCHEMBL6508992 1.00 DPP4 (0.49) DPP4DPP9
SCHEMBL648406 0.89 DPP4 (0.47) DPP4
SCHEMBL1377902 0.89 DPP4 (0.47) DPP4
SCHEMBL648878 0.89 DPP4 (0.47) DPP4
SCHEMBL645803 0.89 DPP4 (0.54) DPP4DPP9
SCHEMBL1376692 0.89 DPP4 (0.54) DPP4DPP9
SCHEMBL646036 0.87 DPP4 (0.45) DPP4
SCHEMBL1378114 0.86 DPP4 (0.54) DPP4DPP9
SCHEMBL1376855 0.84 DPP4 (0.44) DPP4DPP9

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-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed