SCHEMBL6161923

SCHEMBL6161923

O=C(N[C@@H](Cc1ccc(-c2nccs2)cc1)C(=O)O)C(CS)Cc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.51
ADRB2 P07550 1/20 0.45
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL6162707 1.00 MME (0.51) MMEADRB2ACECPA1ACE2
SCHEMBL7315829 0.88 MME (0.66) MME
SCHEMBL3410335 0.88 MME (0.66) MME
SCHEMBL6574501 0.88 MME (0.66) MME
SCHEMBL6161582 0.88 MME (0.66) MME
SCHEMBL6161590 0.88 MME (0.66) MME
SCHEMBL6162737 0.86 MME (0.53) MMEACECPA1ACE2
SCHEMBL6162747 0.86 MME (0.53) MMEACECPA1ACE2
SCHEMBL7397406 0.86 ADRB2 (0.41) MMEADRB2ACECPA1ACE2
SCHEMBL6165670 0.83 MME (0.56) MMEACECPA1ACE2

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
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
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed