SCHEMBL29630405

SCHEMBL29630405

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.59
OPRM1 P35372 6/20 0.58
OPRD1 P41143 2/20 0.54

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
SCHEMBL29630330 0.93 SLC6A2 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL29557379 0.92 OPRM1 (0.60) SLC6A2OPRM1OPRD1
SCHEMBL31676579 0.92 OPRM1 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL4576363 0.90 OPRM1 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL4576369 0.90 OPRM1 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL30382471 0.89 OPRM1 (0.67) SLC6A2OPRM1OPRD1
SCHEMBL29630575 0.89 OPRM1 (0.65) SLC6A2OPRM1OPRD1
SCHEMBL29630655 0.88 SLC6A2 (0.61) SLC6A2OPRM1OPRD1
SCHEMBL30915205 0.87 SLC6A2 (0.54) SLC6A2OPRM1
SCHEMBL31490020 0.87 OPRM1 (0.59) SLC6A2OPRM1OPRD1

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