SCHEMBL6205677

SCHEMBL6205677

C#CC1CCC(C#N)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.57
DPP8 Q6V1X1 1/20 0.57
CTSK P43235 5/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL6205055 1.00 DPP4 (0.57) DPP4DPP8CTSKCTSSCTSL
SCHEMBL648249 1.00 DPP4 (0.57) DPP4DPP8CTSKCTSSCTSL
SCHEMBL648248 1.00 DPP4 (0.57) DPP4DPP8CTSKCTSSCTSL
SCHEMBL645764 0.99 DPP4 (0.58) DPP4DPP8CTSKCTSSCTSL
SCHEMBL647272 0.87 DPP4 (0.58) DPP4DPP8CTSKCTSSCTSL
SCHEMBL648653 0.85 DPP4 (0.39) DPP4DPP8CTSKCTSSCTSL
SCHEMBL646838 0.84 DPP4 (0.40) DPP4DPP8CTSKCTSSCTSL
SCHEMBL647255 0.84 DPP4 (0.41) DPP4DPP8CTSKCTSSCTSL
SCHEMBL6203591 0.84 DPP4 (0.40) DPP4DPP8CTSKCTSSCTSL
SCHEMBL895307 0.84 DPP4 (0.41) DPP4DPP8CTSKCTSSCTSL

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