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SCHEMBL29630359

SCHEMBL29630359

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ OPRD1 P41143 2/20 0.51
▸ ACE P12821 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
SCHEMBL29630550 0.94 OPRM1 (0.54) OPRM1SLC6A2OPRD1ACE
SCHEMBL30123623 0.92 OPRM1 (0.54) OPRM1SLC6A2OPRD1ACE
SCHEMBL29591825 0.92 OPRM1 (0.60) OPRM1SLC6A2OPRD1
SCHEMBL29899126 0.90 ACE (0.55) OPRM1SLC6A2ACE
SCHEMBL30495428 0.88 OPRM1 (0.54) OPRM1SLC6A2OPRD1
SCHEMBL29590992 0.87 OPRM1 (0.59) OPRM1SLC6A2OPRD1
SCHEMBL29591216 0.86 SLC6A2 (0.63) OPRM1SLC6A2OPRD1
SCHEMBL21143353 0.86 OPRM1 (0.56) OPRM1SLC6A2OPRD1ACE
SCHEMBL29590543 0.86 OPRM1 (0.56) OPRM1SLC6A2OPRD1
SCHEMBL29630548 0.85 SLC6A2 (0.53) OPRM1SLC6A2OPRD1ACE

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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