SCHEMBL31211643

SCHEMBL31211643

CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.71
▸ REN P00797 2/20 0.60
▸ ANPEP P15144 1/20 0.58
▸ LNPEP Q9UIQ6 1/20 0.58
▸ CMA1 P23946 2/20 0.57
▸ OPRM1 P35372 1/20 0.54
▸ AGTR1 P30556 2/20 0.54
▸ AGTR2 P50052 2/20 0.54
▸ CALCRL Q16602 1/20 0.53

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
SCHEMBL29614936 0.87 SLC6A2 (0.76) SLC6A2RENCMA1OPRM1CALCRL
SCHEMBL6515635 0.85 SLC6A2 (0.69) SLC6A2RENOPRM1CALCRL
SCHEMBL6515614 0.85 SLC6A2 (0.69) SLC6A2RENOPRM1CALCRL
SCHEMBL13108870 0.85 SLC6A2 (0.64) SLC6A2RENCMA1CALCRL
SCHEMBL12885182 0.85 SLC6A2 (0.64) SLC6A2RENCMA1CALCRL
SCHEMBL29464557 0.85 SLC6A2 (0.73) SLC6A2RENANPEPLNPEPOPRM1
SCHEMBL31406966 0.85 SLC6A2 (0.72) SLC6A2REN
SCHEMBL6886172 0.85 SLC6A2 (0.72) SLC6A2RENOPRM1AGTR1AGTR2
SCHEMBL6886178 0.85 SLC6A2 (0.72) SLC6A2RENOPRM1AGTR1AGTR2
SCHEMBL29576785 0.84 SLC6A2 (0.74) SLC6A2OPRM1

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-118878640-B Fungus-derived cyclic peptide compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2025-01-24 — — CN disclosed
CN-118878640-B Fungus-derived cyclic peptide compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2025-01-24 — — CN disclosed
CN-118878640-A Fungus-derived cyclic peptide compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2024-11-01 — — CN disclosed
CN-118878640-A Fungus-derived cyclic peptide compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2024-11-01 — — CN disclosed
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