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SCHEMBL29810719

SCHEMBL29810719

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.62
▸ BACE1 P56817 13/20 0.57
▸ VIPR1 P32241 1/20 0.56
▸ CTSD P07339 1/20 0.55
▸ BACE2 Q9Y5Z0 2/20 0.54

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
SCHEMBL30215487 0.94 BACE1 (0.57) TFPIBACE1VIPR1BACE2
SCHEMBL29893268 0.92 TFPI (0.60) TFPIBACE1VIPR1CTSDBACE2
SCHEMBL29453340 0.91 VIPR2 (0.63) TFPIBACE1VIPR1
SCHEMBL30262077 0.91 TFPI (0.67) TFPIBACE1VIPR1CTSDBACE2
SCHEMBL29453342 0.91 VIPR2 (0.63) TFPIBACE1VIPR1
SCHEMBL31672193 0.90 BACE1 (0.61) TFPIBACE1VIPR1CTSDBACE2
SCHEMBL29616877 0.90 BACE1 (0.58) TFPIBACE1CTSDBACE2
SCHEMBL31047374 0.90 TFPI (0.66) TFPIBACE1VIPR1BACE2
SCHEMBL30609200 0.89 TFPI (0.66) TFPIBACE1VIPR1BACE2
SCHEMBL30436211 0.89 BACE1 (0.61) TFPIBACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480232-B Bioactive peptide VSLADLQNDEVAFR, and preparation method and application thereof 上海交通大学 2022-07-15 — — CN claimed
CN-112480232-B Bioactive peptide VSLADLQNDEVAFR, and preparation method and application thereof 上海交通大学 2022-07-15 — — CN disclosed
CN-112480232-B Bioactive peptide VSLADLQNDEVAFR, and preparation method and application thereof 上海交通大学 2022-07-15 — — CN disclosed
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