SCHEMBL30239118

SCHEMBL30239118

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.55
▸ F2 P00734 2/20 0.54
▸ CTSD P07339 5/20 0.53
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ BACE2 Q9Y5Z0 1/20 0.48

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
SCHEMBL30239142 0.92 BACE1 (0.58) BACE1F2CTSDNTSR2NTSR1
SCHEMBL29373116 0.92 BACE1 (0.61) BACE1F2CTSDNTSR2NTSR1
SCHEMBL29612266 0.91 F2 (0.60) BACE1F2CTSDNTSR2NTSR1
SCHEMBL30368966 0.89 BACE1 (0.59) BACE1F2CTSDBACE2
SCHEMBL10379929 0.88 GNPAT (0.54) BACE1CTSDBACE2
SCHEMBL10379927 0.88 GNPAT (0.54) BACE1CTSDBACE2
SCHEMBL30273399 0.88 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL29794844 0.88 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30120656 0.88 GNPAT (0.58) F2CTSDNTSR2NTSR1
SCHEMBL29496483 0.87 MMP2 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785215-A Mussel peptide and preparation method and application thereof 青岛琛蓝生物科技有限公司 2023-03-14 — — CN disclosed
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