SCHEMBL31474502

SCHEMBL31474502

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ BACE1 P56817 15/20 0.53
▸ BACE2 Q9Y5Z0 1/20 0.51
▸ CTSD P07339 1/20 0.49

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
SCHEMBL30354167 0.93 BACE1 (0.57) OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL31433322 0.86 MME (0.62) OPRM1OPRD1
SCHEMBL30903463 0.86 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL31497353 0.85 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL29461959 0.85 OPRM1 (0.62) OPRM1OPRD1BACE1BACE2
SCHEMBL29532187 0.85 MME (0.60) —
SCHEMBL31748014 0.85 BACE1 (0.55) OPRM1OPRD1BACE1BACE2
SCHEMBL29772150 0.83 BACE1 (0.62) OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL29674863 0.83 BACE1 (0.49) BACE1
SCHEMBL29373701 0.83 BACE1 (0.59) BACE1

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-119827684-A Beijing white pear origin identification method based on metabonomics technology 北京市农林科学院 2025-04-15 — — CN disclosed
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