SCHEMBL30005565

SCHEMBL30005565

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
SLC6A2 P23975 1/20 0.51
NMUR2 Q9GZQ4 1/20 0.51
NMUR1 Q9HB89 1/20 0.51
CTSD P07339 1/20 0.51
CTSE P14091 1/20 0.51
BACE1 P56817 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
SCHEMBL31377408 0.92 SLC6A2 (0.57) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL31720929 0.88 SLC6A2 (0.56) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30439765 0.88 SLC6A2 (0.56) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL1674802 0.87 NMUR2 (0.57) OPRM1OPRD1OPRK1SLC6A2NMUR2
SCHEMBL1674810 0.87 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL22400261 0.87 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL1674814 0.87 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL1674805 0.87 NMUR2 (0.57) OPRM1OPRD1OPRK1SLC6A2NMUR2
SCHEMBL30005604 0.87 F2 (0.59) OPRM1OPRD1OPRK1
Leucine SCHEMBL14969488 0.86 NMUR2 (0.56) OPRM1OPRD1OPRK1SLC6A2NMUR2

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