SCHEMBL1379906

SCHEMBL1379906

C#CC1CCC(C#N)N1C(=O)CNC1(C)CCN(c2cccc(C#N)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.69
NOTUM Q6P988 1/20 0.45
DPP9 Q86TI2 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
CHRM4 P08173 1/20 0.41

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
SCHEMBL647061 1.00 DPP4 (0.69) DPP4NOTUMDPP9DPP8CHRM4
SCHEMBL647547 0.87 DPP4 (0.70) DPP4DPP9DPP8CHRM4
SCHEMBL5475811 0.84 DPP4 (0.80) DPP4DPP9DPP8CHRM4
SCHEMBL647026 0.82 DPP4 (0.57) DPP4DPP9
SCHEMBL6260828 0.82 DPP4 (0.57) DPP4DPP9
SCHEMBL649783 0.80 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL1380045 0.80 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL648128 0.79 DPP4 (0.75) DPP4DPP9DPP8
SCHEMBL646442 0.79 DPP4 (0.67) DPP4DPP9DPP8
SCHEMBL14263090 0.78 DPP4 (0.81) DPP4DPP9DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4712387-B2 2011-06-29 JP claimed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP claimed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO claimed
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