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Sugi Predict / Compounds / SCHEMBL30019046

SCHEMBL30019046

SCHEMBL30019046

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.64
▸ CTSD P07339 2/20 0.59
▸ BACE2 Q9Y5Z0 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
SCHEMBL31730257 0.94 BACE1 (0.61) BACE1CTSD
SCHEMBL31603949 0.94 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL31181197 0.93 BACE1 (0.54) BACE1CTSD
SCHEMBL29662234 0.92 BACE1 (0.53) BACE1CTSD
SCHEMBL30547342 0.92 BACE1 (0.53) BACE1CTSD
SCHEMBL29720348 0.91 BACE1 (0.60) BACE1CTSD
SCHEMBL30018311 0.91 BACE1 (0.53) BACE1CTSD
SCHEMBL30799561 0.91 BACE1 (0.54) BACE1CTSD
SCHEMBL30343582 0.90 NPY4R (0.55) BACE1CTSDBACE2
SCHEMBL29767368 0.90 NPY4R (0.55) BACE1CTSDBACE2

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-4326330-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS Novartis AG (CH) 2024-02-28 — — EP claimed
WO-2022224164-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS NOVARTIS AG (CH) 2022-10-27 — — WO claimed
EP-4326330-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS Novartis AG (CH) 2024-02-28 — — EP disclosed
WO-2022224164-A1 GLUCAGON LIKE PEPTIDE COMPOUNDS NOVARTIS AG (CH) 2022-10-27 — — WO disclosed
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