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SCHEMBL29630540

SCHEMBL29630540

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.58
▸ OPRM1 P35372 4/20 0.56
▸ OPRD1 P41143 2/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52

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
SCHEMBL29630585 0.93 SLC6A2 (0.56) SLC6A2OPRM1OPRD1
SCHEMBL25214575 0.91 OPRM1 (0.64) SLC6A2OPRM1OPRD1
SCHEMBL29442415 0.91 OPRM1 (0.64) SLC6A2OPRM1OPRD1
SCHEMBL31316687 0.90 OPRM1 (0.63) SLC6A2OPRM1OPRD1
SCHEMBL29592575 0.89 OPRD1 (0.57) SLC6A2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29591862 0.88 SLC6A2 (0.60) SLC6A2OPRM1OPRD1
SCHEMBL29591867 0.88 SLC6A2 (0.52) SLC6A2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31490020 0.88 OPRM1 (0.59) SLC6A2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29465926 0.88 OPRM1 (0.59) SLC6A2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29591952 0.88 SLC6A2 (0.54) SLC6A2OPRM1OPRD1NMUR2NMUR1

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