SCHEMBL7310028

SCHEMBL7310028

C[C@@H](C(=O)O)N(C(=O)[C@@H](S)Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.50
ACE P12821 10/20 0.50
CPA1 P15085 10/20 0.50
ACE2 Q9BYF1 10/20 0.50
GPR88 Q9GZN0 1/20 0.46
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7338879 1.00 MME (0.50) MMEACECPA1ACE2GPR88
SCHEMBL7333784 0.85 CPA3 (0.52) MMEACEGPR88
SCHEMBL7315467 0.85 CPA3 (0.52) MMEACEGPR88
SCHEMBL7323948 0.85 CPA3 (0.52) MMEACEGPR88
SCHEMBL7313773 0.85 CPA3 (0.52) MMEACEGPR88
SCHEMBL8641283 0.77 MME (0.66) MMEACECPA1ACE2GPR88
SCHEMBL7315209 0.77 PTGS2 (0.40) MMEACECPA1ACE2
SCHEMBL7312449 0.77 CPA3 (0.43) MMEACE
SCHEMBL10883595 0.75 ALPI (0.56)
SCHEMBL7315216 0.75 ECE1 (0.49)

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 5 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-0805817-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2001-08-16 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
EP-0805817-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-11-12 EP disclosed
WO-1996022998-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-08-01 WO disclosed