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SCHEMBL30304692

SCHEMBL30304692

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.58
▸ CALCRL Q16602 2/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ REN P00797 2/20 0.52
▸ OPRD1 P41143 1/20 0.49
▸ EPHA2 P29317 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
SCHEMBL30304798 0.95 OPRM1 (0.58) OPRM1CALCRLSLC6A2OPRD1
SCHEMBL30304785 0.93 OPRM1 (0.53) OPRM1CALCRLSLC6A2RENOPRD1
SCHEMBL29591583 0.89 SLC6A2 (0.59) OPRM1CALCRLSLC6A2OPRD1
SCHEMBL29590967 0.89 SLC6A2 (0.59) OPRM1CALCRLSLC6A2OPRD1
SCHEMBL30050570 0.88 OPRM1 (0.54) OPRM1CALCRLSLC6A2RENOPRD1
SCHEMBL29591825 0.88 OPRM1 (0.60) OPRM1SLC6A2OPRD1
SCHEMBL30304870 0.87 SLC6A2 (0.56) OPRM1CALCRLSLC6A2OPRD1
SCHEMBL29590992 0.86 OPRM1 (0.59) OPRM1SLC6A2OPRD1
SCHEMBL29737437 0.85 SLC6A2 (0.58) OPRM1CALCRLSLC6A2RENOPRD1
SCHEMBL16316739 0.85 SLC6A2 (0.63) OPRM1CALCRLSLC6A2RENOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063379-B EphA2 targeting polypeptides and uses thereof 中国药科大学 2025-05-02 — — CN disclosed
CN-116063379-A EphA2 targeting polypeptides and uses thereof 中国药科大学 2023-05-05 — — CN disclosed
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