SCHEMBL6203591

SCHEMBL6203591

C#CC1CCC(C(=O)O)N1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
BTK Q06187 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ACE P12821 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CTSL P07711 1/20 0.35
GAA P10253 1/20 0.35
EPHX1 P07099 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL646838 1.00 DPP4 (0.40) DPP4CTSSCTSKDPP8BTK
SCHEMBL648653 0.99 DPP4 (0.39) DPP4CTSSCTSKDPP8BTK
SCHEMBL648669 0.90 DPP4 (0.42) DPP4CTSSCTSKDPP8BTK
SCHEMBL647255 0.89 DPP4 (0.41) DPP4CTSSCTSKDPP8BTK
SCHEMBL645764 0.85 DPP4 (0.58) DPP4CTSSCTSKDPP8AAK1
SCHEMBL6205677 0.84 DPP4 (0.57) DPP4CTSSCTSKDPP8AAK1
SCHEMBL648248 0.84 DPP4 (0.57) DPP4CTSSCTSKDPP8AAK1
SCHEMBL648249 0.84 DPP4 (0.57) DPP4CTSSCTSKDPP8AAK1
SCHEMBL6205055 0.84 DPP4 (0.57) DPP4CTSSCTSKDPP8AAK1
SCHEMBL3596637 0.84 AAK1 (0.36) DPP4CTSSCTSKBTKAAK1

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