SCHEMBL6237696

SCHEMBL6237696

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.58
MME P08473 1/20 0.51
ANPEP P15144 1/20 0.50
TLR2 O60603 2/20 0.47
LNPEP Q9UIQ6 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CPA1 P15085 1/20 0.45
CPA2 P48052 1/20 0.45
CPA4 Q9UI42 1/20 0.45
ABCB11 O95342 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL6240311 1.00 ACE (0.58) ACEMMEANPEPTLR2LNPEP
SCHEMBL27458051 1.00 ACE (0.58) ACEMMEANPEPTLR2LNPEP
SCHEMBL7267746 0.90 ACE (0.65) ACEMMEANPEPTLR2LNPEP
SCHEMBL5870137 0.90 ACE (0.65) ACEMMEANPEPTLR2LNPEP
SCHEMBL661267 0.90 ACE (0.65) ACEMMEANPEPTLR2LNPEP
SCHEMBL5720686 0.86 ACE (0.52) ACEMMEANPEPTLR2LNPEP
SCHEMBL5720685 0.86 ACE (0.52) ACEMMEANPEPTLR2LNPEP
SCHEMBL4428775 0.85 ACE (0.53) ACEANPEPLMNASMN1; SMN2ABCB11
SCHEMBL4428771 0.85 ACE (0.51) ACEANPEPLNPEPLMNASMN1; SMN2
SCHEMBL11008763 0.83 MME (0.68) ACEMMELMNASMN1; SMN2CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005010028-A1 ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2005-02-03 WO disclosed
EP-0336368-B1 N2-(1-carboxy-3-phenylpropyl)-L-lysine derivative and process of producing lysinopril using the compound KANEGAFUCHI CHEMICAL IND (JP) 1995-02-01 EP disclosed
EP-0336368-A2 N2-(1-carboxy-3-phenylpropyl)-L-lysine derivative and process of producing lysinopril using the compound KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-10-11 EP disclosed