SCHEMBL7315467

SCHEMBL7315467

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.52
FOLH1 Q04609 1/20 0.52
MME P08473 6/20 0.49
LTA4H P09960 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
ACE P12821 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
SCHEMBL7333784 1.00 CPA3 (0.52) CPA3FOLH1MMELTA4HGPR88
SCHEMBL7313773 1.00 CPA3 (0.52) CPA3FOLH1MMELTA4HGPR88
SCHEMBL7323948 1.00 CPA3 (0.52) CPA3FOLH1MMELTA4HGPR88
SCHEMBL7312449 0.90 CPA3 (0.43) CPA3FOLH1MMEACE
SCHEMBL7315216 0.89 ECE1 (0.49) CPA3
Hydrochloric Acid SCHEMBL7854941 0.88 ECE1 (0.48)
SCHEMBL7321606 0.87 PTGES (0.47) FOLH1ACE
SCHEMBL7310028 0.85 MME (0.50) MMEGPR88ACE
SCHEMBL7338879 0.85 MME (0.50) MMEGPR88ACE
SCHEMBL7322272 0.84 MEN1 (0.36) CPA3FOLH1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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