SCHEMBL30004440

SCHEMBL30004440

NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ F2 P00734 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 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
SCHEMBL29713443 0.97 REN (0.50) RENF2OPRM1
SCHEMBL30005549 0.94 NMUR2 (0.50) RENNMUR2NMUR1OPRM1OPRD1
SCHEMBL30468116 0.93 REN (0.58) RENNMUR2NMUR1MAPK8MAPK9
SCHEMBL30005892 0.93 REN (0.57) RENNMUR2NMUR1MAPK8MAPK9
SCHEMBL30992101 0.91 DPP3 (0.59) RENOPRM1OPRD1OPRK1
SCHEMBL13599743 0.89 KDM1A (0.55) RENNMUR2NMUR1SLC6A2
SCHEMBL30630986 0.88 REN (0.56) RENSLC6A2OPRM1
SCHEMBL30004706 0.88 F2 (0.58) SLC6A2F2OPRM1OPRD1OPRK1
SCHEMBL10777748 0.87 REN (0.51) REN
SCHEMBL29580266 0.87 CMA1 (0.54) RENOPRM1

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
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