SCHEMBL7325341

SCHEMBL7325341

CC(N)C(=O)NC(C)C(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)CCC(=O)NC([C]=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.39
OPRD1 P41143 8/20 0.38
OPRM1 P35372 4/20 0.38
OPRK1 P41145 1/20 0.38
NPY5R Q15761 3/20 0.37
NPY1R P25929 2/20 0.37
NPY4R P50391 2/20 0.37
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
REN P00797 1/20 0.36

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
SCHEMBL7322162 0.96 CTSD (0.41) CTSDREN
SCHEMBL7329691 0.91 CTSD (0.47) CTSDBACE1REN
SCHEMBL7328982 0.90 CTSD (0.41) CTSDREN
SCHEMBL7325118 0.87 CTSD (0.50) CTSDREN
SCHEMBL7323826 0.85 REN (0.46) CTSDBACE1REN
SCHEMBL7327920 0.83 CTSD (0.45) CTSDBACE1REN
SCHEMBL7357139 0.83 CTSD (0.45) CTSDBACE1BACE2REN
SCHEMBL7326624 0.83 CTSD (0.47) CTSDBACE1BACE2REN
SCHEMBL7326637 0.83 CTSD (0.47) CTSDBACE1BACE2REN
SCHEMBL7328794 0.82 REN (0.48) CTSDBACE1REN

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed