SCHEMBL1380312

SCHEMBL1380312

C#CC1CCC(C#N)N1C(=O)CNC1(C)CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.62
MGLL Q99685 4/20 0.45
MAPT P10636 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6507140 1.00 DPP4 (0.62) DPP4MGLLMAPTDPP8DPP9
SCHEMBL646218 1.00 DPP4 (0.62) DPP4MGLLMAPTDPP8DPP9
SCHEMBL6507143 1.00 DPP4 (0.62) DPP4MGLLMAPTDPP8DPP9
SCHEMBL1380045 0.91 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL1378332 0.91 DPP4 (0.62) DPP4MGLLDPP8DPP9KMT2A
SCHEMBL647290 0.91 DPP4 (0.62) DPP4MGLLDPP8DPP9KMT2A
SCHEMBL649783 0.91 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL647213 0.91 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL646598 0.90 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL1379249 0.83 DPP4 (0.60) DPP4MGLLMAPTDPP9MEN1

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