SCHEMBL6161861

SCHEMBL6161861

O=C(N[C@@H](Cc1ccc(-c2cnccn2)cc1)C(=O)O)[C@@H](CS)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.64
HRH4 Q9H3N8 1/20 0.53
ACE P12821 2/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52

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
SCHEMBL6161373 1.00 MME (0.64) MMEHRH4ACECPA1ACE2
SCHEMBL6161376 1.00 MME (0.64) MMEHRH4ACECPA1ACE2
SCHEMBL6160962 0.88 MME (0.67) MMEHRH4ACECPA1ACE2
SCHEMBL6160969 0.88 MME (0.67) MMEHRH4ACECPA1ACE2
SCHEMBL6161496 0.88 MME (0.67) MMEHRH4ACECPA1ACE2
SCHEMBL6161548 0.86 MME (0.67) MMEHRH4ACECPA1ACE2
SCHEMBL6160503 0.86 MME (0.67) MMEHRH4ACECPA1ACE2
SCHEMBL6159974 0.86 MME (0.67) MMEHRH4ACECPA1ACE2
SCHEMBL6168678 0.84 MME (0.82) MMEHRH4ACECPA1ACE2
SCHEMBL6171524 0.84 MME (0.82) MMEHRH4ACECPA1ACE2

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
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US claimed
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US disclosed