SCHEMBL6160969

SCHEMBL6160969

O=C(N[C@@H](Cc1ccc(-c2ccccn2)cc1)C(=O)O)C(CS)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.67
ACE P12821 2/20 0.58
CPA1 P15085 2/20 0.58
ACE2 Q9BYF1 2/20 0.58
HRH4 Q9H3N8 1/20 0.56

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
SCHEMBL6161496 1.00 MME (0.67) MMEACECPA1ACE2HRH4
SCHEMBL6160962 1.00 MME (0.67) MMEACECPA1ACE2HRH4
SCHEMBL6161861 0.88 MME (0.64) MMEACECPA1ACE2HRH4
SCHEMBL6161376 0.88 MME (0.64) MMEACECPA1ACE2HRH4
SCHEMBL6161373 0.88 MME (0.64) MMEACECPA1ACE2HRH4
SCHEMBL6171524 0.87 MME (0.82) MMEACECPA1ACE2HRH4
SCHEMBL6168678 0.87 MME (0.82) MMEACECPA1ACE2HRH4
SCHEMBL6173142 0.84 MME (0.86) MMEHRH4
SCHEMBL6173139 0.84 MME (0.86) MMEHRH4
SCHEMBL6574501 0.83 MME (0.66) MMEHRH4

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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP 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
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed