SCHEMBL7329691

SCHEMBL7329691

CC(N)C(=O)NC(C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC([C]=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.47
BACE1 P56817 5/20 0.44
REN P00797 2/20 0.44
CTRB1 P17538 3/20 0.42

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
SCHEMBL7325118 0.96 CTSD (0.50) CTSDRENCTRB1
SCHEMBL7327920 0.92 CTSD (0.45) CTSDBACE1REN
SCHEMBL7325341 0.91 CTSD (0.39) CTSDBACE1REN
SCHEMBL7322162 0.87 CTSD (0.41) CTSDRENCTRB1
SCHEMBL7332756 0.87 REN (0.48) CTSDBACE1REN
SCHEMBL7330753 0.86 REN (0.49) CTSDBACE1REN
SCHEMBL7327030 0.83 CTSD (0.61) CTSDBACE1REN
SCHEMBL7328982 0.83 CTSD (0.41) CTSDREN
SCHEMBL7324618 0.82 REN (0.50) CTSDBACE1REN
SCHEMBL7331822 0.82 CSNK1E (0.46) CTSDCTRB1

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