SCHEMBL30272230

SCHEMBL30272230

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.55
▸ CTSD P07339 2/20 0.54
▸ BACE2 Q9Y5Z0 2/20 0.49

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
SCHEMBL30763285 0.92 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL29407562 0.91 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL29860263 0.91 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL30637767 0.89 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL28964063 0.89 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL30640025 0.86 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL29683498 0.85 BACE1 (0.40) BACE1CTSDBACE2
SCHEMBL31187019 0.85 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL21529464 0.85 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL7628730 0.85 F2 (0.51) BACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023012263-A1 SOLID ORAL PEPTIDE FORMULATIONS NOVO NORDISK A/S (DK) 2023-02-09 — — WO disclosed
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