SCHEMBL7328982

SCHEMBL7328982

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.41
GRIA1 P42261 2/20 0.38
REN P00797 2/20 0.38
CHRND Q07001 5/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37

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
SCHEMBL7325341 0.90 CTSD (0.39) CTSDREN
SCHEMBL7322162 0.88 CTSD (0.41) CTSDGRIA1RENCHRNDCHRNA1
SCHEMBL7323826 0.85 REN (0.46) CTSDREN
SCHEMBL7327680 0.84 REN (0.47) CTSDREN
SCHEMBL7329691 0.83 CTSD (0.47) CTSDREN
SCHEMBL7327920 0.81 CTSD (0.45) CTSDREN
SCHEMBL7330753 0.81 REN (0.49) CTSDREN
SCHEMBL7325118 0.81 CTSD (0.50) CTSDREN
SCHEMBL7332756 0.80 REN (0.48) CTSDREN
SCHEMBL7328794 0.80 REN (0.48) CTSDREN

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