SCHEMBL30435360

SCHEMBL30435360

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.54
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ BACE1 P56817 7/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.52
▸ CTSD P07339 1/20 0.52
▸ CTSB P07858 1/20 0.50

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
SCHEMBL29789569 0.91 OPRK1 (0.54) OPRK1OPRM1OPRD1
SCHEMBL30109075 0.89 OPRD1 (0.52) OPRK1OPRM1OPRD1BACE1
SCHEMBL30974321 0.88 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL30397713 0.88 OPRM1 (0.53) OPRK1OPRM1OPRD1BACE1BACE2
SCHEMBL29568724 0.88 OPRK1 (0.59) OPRK1OPRM1OPRD1CTSB
SCHEMBL29569118 0.87 OPRK1 (0.54) OPRK1OPRM1OPRD1BACE1BACE2
SCHEMBL30397813 0.87 BACE1 (0.60) OPRK1BACE1BACE2CTSD
SCHEMBL10868210 0.87 BACE1 (0.57) OPRK1OPRM1BACE1BACE2CTSD
SCHEMBL10868200 0.87 BACE1 (0.57) OPRK1OPRM1BACE1BACE2CTSD
SCHEMBL30778301 0.87 OPRK1 (0.59) OPRK1OPRM1BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819498-B Antioxidant polypeptide penetrating blood brain barrier as well as preparation method and application thereof 吉林农业大学 2023-05-16 — — CN disclosed
CN-115819498-A Blood brain barrier penetrating antioxidant polypeptide and preparation method and application thereof 吉林农业大学 2023-03-21 — — CN disclosed
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