SCHEMBL7322162

SCHEMBL7322162

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.41
REN P00797 2/20 0.38
GRIA1 P42261 1/20 0.37
CHRND Q07001 5/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
SLC6A2 P23975 1/20 0.35
IL1RN P18510 1/20 0.35
ERAP2 Q6P179 1/20 0.35
CTRB1 P17538 1/20 0.35

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 0.96 CTSD (0.39) CTSDREN
SCHEMBL7325118 0.91 CTSD (0.50) CTSDRENCTRB1
SCHEMBL7328982 0.88 CTSD (0.41) CTSDRENGRIA1CHRNDCHRNA1
SCHEMBL7329691 0.87 CTSD (0.47) CTSDRENCTRB1
SCHEMBL7323826 0.83 REN (0.46) CTSDREN
SCHEMBL7321304 0.80 CTSD (0.59) CTSDREN
SCHEMBL7326624 0.79 CTSD (0.47) CTSDREN
SCHEMBL7357139 0.79 CTSD (0.45) CTSDREN
SCHEMBL7327920 0.79 CTSD (0.45) CTSDREN
SCHEMBL7326637 0.79 CTSD (0.47) 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