Sugi Predict

Sugi Predict / Compounds / SCHEMBL30004616

SCHEMBL30004616

SCHEMBL30004616

NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52

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
SCHEMBL29630445 0.93 SLC6A2 (0.59) OPRM1SLC6A2
SCHEMBL29591862 0.91 SLC6A2 (0.60) OPRM1OPRD1SLC6A2
SCHEMBL30234090 0.90 NMUR2 (0.55) OPRM1SLC6A2
SCHEMBL29598550 0.89 OPRM1 (0.44) OPRM1OPRD1
SCHEMBL30005604 0.88 F2 (0.59) OPRM1OPRD1
SCHEMBL29713445 0.88 OPRM1 (0.59) OPRM1OPRD1
SCHEMBL30234221 0.88 NTSR2 (0.54) OPRM1OPRD1SLC6A2
SCHEMBL31679454 0.87 SLC6A2 (0.56) OPRM1OPRD1SLC6A2
SCHEMBL30004706 0.87 F2 (0.58) OPRM1OPRD1SLC6A2
SCHEMBL29591691 0.87 SLC6A2 (0.58) OPRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124606-B Oligopeptide containing amino acid structure PQQP, and preparation method and application thereof 上海理工大学 2025-03-28 — — CN claimed
CN-115124606-A Oligopeptide containing amino acid structure PQQP and preparation method and application thereof 上海理工大学 2022-09-30 — — CN claimed
CN-115124606-B Oligopeptide containing amino acid structure PQQP, and preparation method and application thereof 上海理工大学 2025-03-28 — — CN disclosed
CN-115124606-A Oligopeptide containing amino acid structure PQQP and preparation method and application thereof 上海理工大学 2022-09-30 — — CN disclosed