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Sugi Predict / Compounds / SCHEMBL30143338

SCHEMBL30143338

SCHEMBL30143338

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.62
▸ BACE2 Q9Y5Z0 4/20 0.62
▸ NTSR2 O95665 3/20 0.60
▸ NTSR1 P30989 3/20 0.60
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ SORT1 Q99523 2/20 0.53
▸ VIPR2 P41587 5/20 0.52
▸ VIPR1 P32241 3/20 0.52
▸ CTSD P07339 1/20 0.51
▸ F2 P00734 1/20 0.51

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
SCHEMBL29611893 0.91 NTSR1 (0.61) BACE1BACE2NTSR2NTSR1NPY1R
SCHEMBL29402814 0.89 VIPR2 (0.55) BACE1BACE2NTSR2NTSR1VIPR2
SCHEMBL30844078 0.88 BACE1 (0.59) BACE1BACE2NTSR2NTSR1VIPR2
SCHEMBL31405782 0.87 BACE1 (0.55) BACE1BACE2NTSR2NTSR1VIPR2
SCHEMBL29770017 0.87 NTSR2 (0.68) NTSR2NTSR1NPY1RNPY2RNPY4R
SCHEMBL32677746 0.87 BACE1 (0.59) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL30647291 0.87 BACE1 (0.59) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL29572333 0.87 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL29612288 0.87 NTSR1 (0.60) NTSR2NTSR1NPY1RNPY2RNPY4R
SCHEMBL29760947 0.87 NPY4R (0.68) BACE1BACE2NTSR2NTSR1NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129318-A1 PROTEIN-BASED PHARMACEUTICAL COMPOSITION WITH NEUROPROTECTIVE, IMMUNOMODULATING, ANTI-INFLAMMATORY AND ANTIMICROBIAL ACTIVITY Centro Nacional de Biopreparados (CU) 2023-02-08 — — EP claimed
CN-115209908-A Protein-based pharmaceutical compositions with neuroprotective, immunomodulatory, anti-inflammatory and antimicrobial activities 国家生物医学中心 2022-10-18 — — CN claimed
EP-4129318-A1 PROTEIN-BASED PHARMACEUTICAL COMPOSITION WITH NEUROPROTECTIVE, IMMUNOMODULATING, ANTI-INFLAMMATORY AND ANTIMICROBIAL ACTIVITY Centro Nacional de Biopreparados (CU) 2023-02-08 — — EP disclosed
CN-115209908-A Protein-based pharmaceutical compositions with neuroprotective, immunomodulatory, anti-inflammatory and antimicrobial activities 国家生物医学中心 2022-10-18 — — CN disclosed
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