SCHEMBL7843901

SCHEMBL7843901

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)C(=O)NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.59
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
CMA1 P23946 15/20 0.54
KLK5 Q9Y337 1/20 0.51
KMT2A Q03164 1/20 0.50
CTRC Q99895 1/20 0.49

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
SCHEMBL7852721 0.88 ACE (0.58) ACEKMT2A
SCHEMBL7855038 0.87 KDM4E (0.58) ACE
SCHEMBL8378100 0.86 ACE (0.77) ACEF2PRSS1CMA1KLK5
SCHEMBL22409423 0.86 ACE (0.77) ACEF2PRSS1CMA1KLK5
SCHEMBL5900839 0.86 ACE (0.77) ACEF2PRSS1CMA1KLK5
SCHEMBL3692085 0.86 ACE (0.77) ACEF2PRSS1CMA1KLK5
SCHEMBL5900836 0.86 ACE (0.77) ACEF2PRSS1CMA1KLK5
SCHEMBL3692081 0.86 ACE (0.77) ACEF2PRSS1CMA1KLK5
SCHEMBL7845289 0.85 ACE (0.59) ACE
SCHEMBL6412055 0.84 ACE (0.66) ACEF2PRSS1CMA1KLK5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP disclosed
US-5965556-A KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1999-10-12 US disclosed
US-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 US disclosed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP disclosed