SCHEMBL6204436

SCHEMBL6204436

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL3595601 1.00 ACE (0.32) ACEALDH1A1
SCHEMBL648438 0.85 KDM4E (0.32)
SCHEMBL645766 0.84 DPP4 (0.41) ACEALDH1A1
SCHEMBL6204432 0.84 DPP4 (0.41) ACEALDH1A1
SCHEMBL3600213 0.83
SCHEMBL648450 0.83
SCHEMBL4977537 0.77 DPP4 (0.38) ACEALDH1A1
SCHEMBL647621 0.77 DPP4 (0.38) ACEALDH1A1
SCHEMBL6202997 0.77 DPP4 (0.38) ACEALDH1A1
SCHEMBL647374 0.75

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