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Sugi Predict / Compounds / SCHEMBL29514645

SCHEMBL29514645

SCHEMBL29514645

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.43
▸ C5AR1 P21730 2/20 0.42
▸ GLP1R P43220 2/20 0.41
▸ VIPR1 P32241 1/20 0.41
▸ SCTR P47872 1/20 0.41
▸ CALCR P30988 4/20 0.40
▸ CTSD P07339 1/20 0.40
▸ OPRD1 P41143 1/20 0.40

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
SCHEMBL29514797 0.98 BACE1 (0.43) BACE1BACE2C5AR1GLP1RSCTR
SCHEMBL29514698 0.98 BACE1 (0.43) BACE1BACE2C5AR1GLP1RSCTR
SCHEMBL29808308 0.92 C5AR1 (0.41) BACE1BACE2C5AR1GLP1RSCTR
SCHEMBL29514780 0.89 BACE1 (0.41) BACE1BACE2CTSDOPRD1
SCHEMBL29940718 0.89 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL31031469 0.88 BACE1 (0.52) BACE1BACE2C5AR1GLP1RVIPR1
SCHEMBL30093349 0.88 GLP1R (0.41) C5AR1GLP1RSCTR
SCHEMBL30441425 0.87 SLC15A2 (0.43) BACE1BACE2C5AR1CTSD
SCHEMBL30505876 0.87 CCNA2 (0.44) BACE1GLP1RVIPR1SCTR
SCHEMBL30240002 0.87 ENPEP (0.43) BACE1GLP1RVIPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621318-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-06-14 — — CN claimed
CN-114181281-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-03-15 — — CN claimed
CN-114621318-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-06-14 — — CN disclosed
CN-107531752-B Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-05-10 — — CN disclosed
CN-114181281-A Peptide therapy for inflammation and fibrosis 加利福尼亚大学董事会 2022-03-15 — — CN disclosed
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