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SCHEMBL30784853

SCHEMBL30784853

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.56
▸ BACE2 Q9Y5Z0 6/20 0.56
▸ CTSD P07339 1/20 0.51
▸ F2 P00734 2/20 0.49
▸ NTSR2 O95665 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ VIPR2 P41587 1/20 0.48
▸ OPRD1 P41143 1/20 0.47

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
SCHEMBL30784851 0.95 BACE1 (0.51) BACE1BACE2CTSDF2NTSR2
SCHEMBL30784911 0.91 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL30107616 0.88 F2 (0.49) BACE1BACE2F2NTSR2NTSR1
SCHEMBL30512765 0.88 BACE1 (0.59) BACE1BACE2CTSDVIPR2OPRD1
SCHEMBL30784958 0.88 NTSR2 (0.59) NTSR2NTSR1
SCHEMBL30975114 0.87 NTSR2 (0.53) BACE1BACE2NTSR2NTSR1VIPR2
SCHEMBL30784898 0.87 BACE1 (0.65) BACE1BACE2CTSDNTSR2NTSR1
SCHEMBL31229206 0.87 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL30512653 0.86 VIPR1 (0.60) BACE1BACE2CTSDVIPR2
SCHEMBL31307271 0.85 BACE1 (0.54) BACE1BACE2CTSDNTSR2NTSR1

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
EP-4563701-A1 PEPTIDE SYNTHETASE LIBRARY CONSTRUCTION METHOD National University Corporation Kobe University (JP) 2025-06-04 — — EP disclosed
WO-2024024966-A1 PEPTIDE SYNTHETASE LIBRARY CONSTRUCTION METHOD 国立大学法人神戸大学 2024-02-01 — — WO disclosed
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