SCHEMBL8053385

SCHEMBL8053385

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.54
REN P00797 4/20 0.54
KDM4E B2RXH2 1/20 0.54
F2 P00734 1/20 0.54
LMNA P02545 1/20 0.54
LTA4H P09960 1/20 0.54
MAPT P10636 1/20 0.54
PEPD P12955 1/20 0.54
ALOX15 P16050 1/20 0.54
PTGS1 P23219 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
HRH1 P35367 1/20 0.54
THPO P40225 1/20 0.54
PMP22 Q01453 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
PREP P48147 1/20 0.48
FAP Q12884 1/20 0.48

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
SCHEMBL11760610 1.00 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL30721586 0.89 ACE (0.51) ACERENKDM4EF2LMNA
SCHEMBL11376449 0.87 PREP (0.62) ACERENKDM4EF2LMNA
SCHEMBL11376437 0.87 PREP (0.62) ACERENKDM4EF2LMNA
SCHEMBL30466129 0.85 DPP4 (0.50) ACERENKDM4EF2LMNA
SCHEMBL8053098 0.85 PREP (0.43) ACERENKDM4EF2LMNA
SCHEMBL8053091 0.85 PREP (0.43) ACERENKDM4EF2LMNA
SCHEMBL16021695 0.85 ACE (0.59) ACERENKDM4EF2LMNA
SCHEMBL31181299 0.85 CPA1 (0.47) ACERENKDM4EF2LMNA
SCHEMBL11567385 0.85 PREP (0.45) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130315-A SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES MERRELL PHARMACEUTICALS INC. (US) 2000-10-10 US disclosed
US-5849866-A Peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1998-12-15 US disclosed
US-5496927-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE, CATHEPSIN G, CHYMOTRYPSIN MERRELL PHARMACEUTICALS INC. (US) 1996-03-05 US disclosed
EP-0195212-B1 Novel peptidase inhibitors MERRELL DOW PHARMA (US) 1993-11-24 EP disclosed
EP-0195212-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1986-09-24 EP disclosed
US-4064236-A Peptide carbazates and pharmaceutical composition MERCK & CO., INC. (US) 1977-12-20 US disclosed