SCHEMBL31411848

SCHEMBL31411848

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 5/20 0.54
▸ OPRD1 P41143 13/20 0.53
▸ OPRM1 P35372 10/20 0.53
▸ OPRK1 P41145 2/20 0.49
▸ MME P08473 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
SCHEMBL3863306 0.92 OPRD1 (0.57) CTSDOPRD1OPRM1OPRK1
SCHEMBL29351955 0.91 CTSD (0.57) CTSDOPRD1OPRM1MME
SCHEMBL31215075 0.88 OPRD1 (0.64) OPRD1OPRM1OPRK1MME
SCHEMBL30050825 0.87 OPRD1 (0.53) CTSDOPRD1OPRM1OPRK1MME
SCHEMBL3209858 0.86 OPRD1 (0.54) CTSDOPRD1OPRM1OPRK1
SCHEMBL30050842 0.85 CTSD (0.60) CTSDMME
SCHEMBL31462339 0.85 CTSD (0.60) CTSDMME
SCHEMBL31215118 0.84 OPRD1 (0.65) OPRD1OPRM1OPRK1MME
SCHEMBL30052420 0.84 CTSD (0.55) CTSDOPRD1OPRM1OPRK1MME
SCHEMBL30052924 0.83 CTSD (0.64) CTSDMME

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-119331058-A Two novel cyclic peptide compounds extracted from radix bupleuri, and extraction method and application thereof 河南中医药大学 2025-01-21 — — CN disclosed
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