SCHEMBL6204432

SCHEMBL6204432

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
ALDH1A1 P00352 3/20 0.34
ACE P12821 1/20 0.34
LMNA P02545 1/20 0.31

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
SCHEMBL645766 1.00 DPP4 (0.41) DPP4ALDH1A1ACELMNA
SCHEMBL646398 0.86 DPP4 (0.40) DPP4ALDH1A1LMNA
SCHEMBL647239 0.84 DPP4 (0.41) DPP4ALDH1A1
SCHEMBL3595601 0.84 ACE (0.32) ALDH1A1ACE
SCHEMBL6204436 0.84 ACE (0.32) ALDH1A1ACE
SCHEMBL3599761 0.82 DPP4 (0.40) DPP4ALDH1A1ACE
SCHEMBL4977537 0.81 DPP4 (0.38) DPP4ALDH1A1ACE
SCHEMBL6202997 0.81 DPP4 (0.38) DPP4ALDH1A1ACE
SCHEMBL647621 0.81 DPP4 (0.38) DPP4ALDH1A1ACE
SCHEMBL6201514 0.79 DPP4 (0.62) DPP4

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