SCHEMBL5720686

SCHEMBL5720686

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.52
MME P08473 1/20 0.47
ANPEP P15144 1/20 0.44
LNPEP Q9UIQ6 3/20 0.42
ERAP2 Q6P179 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
CASP1 P29466 4/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CPA1 P15085 1/20 0.41
CPA2 P48052 1/20 0.41
CPA4 Q9UI42 1/20 0.41
CPB2 Q96IY4 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
TLR2 O60603 1/20 0.40

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
SCHEMBL5720685 1.00 ACE (0.52) ACEMMEANPEPLNPEPERAP2
SCHEMBL6237696 0.86 ACE (0.58) ACEMMEANPEPLNPEPERAP2
SCHEMBL6240311 0.86 ACE (0.58) ACEMMEANPEPLNPEPERAP2
SCHEMBL27458051 0.86 ACE (0.58) ACEMMEANPEPLNPEPERAP2
SCHEMBL7267746 0.86 ACE (0.65) ACEMMEANPEPLNPEPERAP2
SCHEMBL5870137 0.86 ACE (0.65) ACEMMEANPEPLNPEPERAP2
SCHEMBL661267 0.86 ACE (0.65) ACEMMEANPEPLNPEPERAP2
SCHEMBL5720638 0.83 MMP2 (0.41) ACEANPEPCASP1MMP2MMP9
SCHEMBL5720645 0.83 MMP2 (0.41) ACEANPEPCASP1MMP2MMP9
SCHEMBL5720692 0.82 ACE (0.40) ACEANPEPLNPEPERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513868-B1 PROCESS FOR THE PRODUCTION OF LISINOPRIL EOS ECZACIBASI OZGUN KIMYASAL (TR) 2006-08-09 EP claimed