SCHEMBL1379249

SCHEMBL1379249

C#CC1CCC(C#N)N1C(=O)CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.60
MGLL Q99685 9/20 0.51
DPP9 Q86TI2 1/20 0.50
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL648663 1.00 DPP4 (0.60) DPP4MGLLDPP9MAPTMEN1
SCHEMBL1380312 0.83 DPP4 (0.62) DPP4MGLLDPP9MAPTMEN1
SCHEMBL646218 0.83 DPP4 (0.62) DPP4MGLLDPP9MAPTMEN1
SCHEMBL6507140 0.83 DPP4 (0.62) DPP4MGLLDPP9MAPTMEN1
SCHEMBL6507143 0.83 DPP4 (0.62) DPP4MGLLDPP9MAPTMEN1
SCHEMBL7534609 0.82 DPP4 (0.67) DPP4DPP9
SCHEMBL7534605 0.82 DPP4 (0.67) DPP4DPP9
SCHEMBL4703708 0.80 DPP4 (0.68) DPP4DPP9EPHX2
SCHEMBL648643 0.80 DPP4 (0.68) DPP4DPP9EPHX2
SCHEMBL4705700 0.79 DPP4 (0.89) 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 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