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SCHEMBL30442348

SCHEMBL30442348

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.49
▸ CTSD P07339 3/20 0.45
▸ BACE2 Q9Y5Z0 3/20 0.43
▸ ERAP2 Q6P179 1/20 0.42
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41

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
SCHEMBL29808247 0.95 BACE1 (0.48) BACE1CTSDBACE2ERAP2
SCHEMBL31513090 0.94 BACE1 (0.47) BACE1CTSDBACE2ERAP2NPY1R
Hydrochloric Acid SCHEMBL31518365 0.94 BACE1 (0.47) BACE1CTSDBACE2ERAP2NPY1R
SCHEMBL29530854 0.93 ERAP2 (0.47) BACE1CTSDBACE2ERAP2NPY1R
SCHEMBL29530852 0.93 ERAP2 (0.47) BACE1CTSDBACE2ERAP2NPY1R
SCHEMBL31130605 0.93 ERAP2 (0.48) BACE1CTSDBACE2ERAP2NPY1R
SCHEMBL30688995 0.91 BACE1 (0.45) BACE1CTSDBACE2ERAP2NPY1R
Trifluoroacetic Acid SCHEMBL31518369 0.90 BACE1 (0.46) BACE1CTSDBACE2ERAP2NPY1R
SCHEMBL8978124 0.89 BACE1 (0.40) BACE1CTSD
SCHEMBL8978115 0.89 BACE1 (0.40) BACE1CTSD

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
CN-114796123-B Self-assembled peptide nano-preparation with anti-hepatic fibrosis function and preparation method and application thereof 安徽医科大学 2023-06-23 — — CN disclosed
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