SCHEMBL6576598

SCHEMBL6576598

C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(N(C)C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 18/20 0.82

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
SCHEMBL10004544 0.90 ACE (1.00) ACE
SCHEMBL6576191 0.90 ACE (1.00) ACE
SCHEMBL4565424 0.90 ACE (1.00) ACE
SCHEMBL2108008 0.90 ACE (1.00) ACE
SCHEMBL6576163 0.88 ACE (0.83) ACE
SCHEMBL6576213 0.87 ACE (0.82) ACE
SCHEMBL5695671 0.84 ACE (1.00) ACE
SCHEMBL5695626 0.84 ACE (1.00) ACE
SCHEMBL8074628 0.84 ACE (1.00) ACE
SCHEMBL5695709 0.84 ACE (1.00) ACE

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-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed