SCHEMBL6202997

SCHEMBL6202997

C#CC1CC[C@@H](C(=O)O)N1C(=O)CCl

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.38
ACE P12821 2/20 0.36
ALDH1A1 P00352 2/20 0.34
DPP8 Q6V1X1 1/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33

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
SCHEMBL4977537 1.00 DPP4 (0.38) DPP4ACEALDH1A1DPP8YAP1
SCHEMBL647621 1.00 DPP4 (0.38) DPP4ACEALDH1A1DPP8YAP1
SCHEMBL647869 0.85 DPP4 (0.38) DPP4ALDH1A1DPP8
SCHEMBL4704107 0.85 DPP4 (0.38) DPP4ALDH1A1DPP8
SCHEMBL14263094 0.83 DPP4 (0.41) DPP4ACEALDH1A1DPP8
SCHEMBL14263088 0.81 DPP4 (0.35) DPP4DPP8
SCHEMBL645766 0.81 DPP4 (0.41) DPP4ACEALDH1A1
SCHEMBL6204432 0.81 DPP4 (0.41) DPP4ACEALDH1A1
SCHEMBL25305608 0.80 DPP4 (0.37) DPP4ACEALDH1A1DPP8
SCHEMBL4983693 0.78 DPP4 (0.60) DPP4DPP8

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