SCHEMBL6576378

SCHEMBL6576378

CC(CSC(=O)c1ccccc1)C(=O)N[C@@H](CSCc1ccc(N(C)C(C)C)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 17/20 0.59

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
SCHEMBL8447318 1.00 ACE (0.59) ACE
SCHEMBL6576380 1.00 ACE (0.59) ACE
SCHEMBL6574206 0.92 ACE (0.70) ACE
SCHEMBL6575447 0.92 ACE (0.70) ACE
SCHEMBL6575444 0.92 ACE (0.70) ACE
SCHEMBL6574200 0.92 ACE (0.70) ACE
SCHEMBL6576190 0.89 ACE (0.58) ACE
SCHEMBL8451627 0.89 ACE (0.58) ACE
SCHEMBL6578424 0.89 ACE (0.59) ACE
SCHEMBL6576193 0.89 ACE (0.58) 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