SCHEMBL7327920

SCHEMBL7327920

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.45
REN P00797 2/20 0.42
BACE1 P56817 9/20 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
SCHEMBL7329691 0.92 CTSD (0.47) CTSDRENBACE1
SCHEMBL7325118 0.87 CTSD (0.50) CTSDREN
SCHEMBL7332756 0.84 REN (0.48) CTSDRENBACE1
SCHEMBL7324618 0.84 REN (0.50) CTSDRENBACE1
SCHEMBL7330753 0.83 REN (0.49) CTSDRENBACE1
SCHEMBL7325341 0.83 CTSD (0.39) CTSDRENBACE1
SCHEMBL7323060 0.83 REN (0.56) CTSDRENBACE1
SCHEMBL7354721 0.83 REN (0.56) CTSDRENBACE1
SCHEMBL7328124 0.81 BACE1 (0.51) CTSDRENBACE1
SCHEMBL7328119 0.81 BACE1 (0.51) CTSDRENBACE1

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