SCHEMBL31707293

SCHEMBL31707293

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.59
▸ CTSB P07858 1/20 0.55
▸ OPRM1 P35372 5/20 0.54
▸ OPRD1 P41143 5/20 0.54
▸ OPRK1 P41145 3/20 0.54
▸ CTSD P07339 2/20 0.51
▸ 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
SCHEMBL30242956 0.94 BACE1 (0.60) BACE1CTSBOPRM1OPRD1OPRK1
SCHEMBL38662780 0.88 CTSD (0.58) CTSBOPRM1OPRD1OPRK1CTSD
SCHEMBL30117298 0.87 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL29815884 0.86 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL31229141 0.86 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL29689231 0.85 BACE1 (0.55) BACE1OPRM1OPRD1OPRK1CTSD
SCHEMBL30512615 0.85 BACE1 (0.59) BACE1OPRM1OPRD1CTSDBACE2
SCHEMBL29608731 0.84 OPRD1 (0.55) BACE1OPRM1OPRD1OPRK1BACE2
SCHEMBL30462285 0.82 OPRD1 (0.63) BACE1CTSBOPRM1OPRD1OPRK1
SCHEMBL10601764 0.82 OPRD1 (0.52) OPRM1OPRD1OPRK1

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-119219736-B Schiff base mediated peptide self-assembly body and preparation method and application thereof 吉林大学 2025-10-17 — — CN disclosed
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