SCHEMBL7312449

SCHEMBL7312449

C[C@@H](C(=O)O)N(C(=O)C(CS)Cc1ccccc1)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.43
FOLH1 Q04609 1/20 0.43
MME P08473 9/20 0.43
MMEL1 Q495T6 2/20 0.43
GPR34 Q9UPC5 2/20 0.42
ACE P12821 3/20 0.41

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 0.90 CPA3 (0.52) CPA3FOLH1MMEACE
SCHEMBL7323948 0.90 CPA3 (0.52) CPA3FOLH1MMEACE
SCHEMBL7313773 0.90 CPA3 (0.52) CPA3FOLH1MMEACE
SCHEMBL7315467 0.90 CPA3 (0.52) CPA3FOLH1MMEACE
SCHEMBL7321606 0.83 PTGES (0.47) FOLH1ACE
SCHEMBL7315216 0.80 ECE1 (0.49) CPA3
Hydrochloric Acid SCHEMBL7854941 0.80 ECE1 (0.48)
SCHEMBL7319260 0.77 F10 (0.41) MMEMMEL1GPR34ACE
SCHEMBL7310028 0.77 MME (0.50) MMEACE
SCHEMBL7338879 0.77 MME (0.50) MMEACE

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-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
US-5866604-A Thiol derivatives with metallopeptidase inhibitory activity ZAMBON GROUP S.P.A. (IT) 1999-02-02 US disclosed