SCHEMBL29630683

SCHEMBL29630683

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.71
OPRD1 P41143 4/20 0.63
SLC6A2 P23975 1/20 0.57
F2 P00734 1/20 0.56
NTSR2 O95665 3/20 0.54
NTSR1 P30989 3/20 0.54
SORT1 Q99523 3/20 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
SCHEMBL30232040 0.95 OPRM1 (0.65) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL29569996 0.93 OPRM1 (0.75) OPRM1OPRD1SLC6A2F2NTSR2
SCHEMBL31679387 0.93 OPRM1 (0.66) OPRM1OPRD1SLC6A2F2
SCHEMBL30273400 0.92 OPRM1 (0.64) OPRM1OPRD1SLC6A2F2NTSR2
SCHEMBL31370870 0.91 OPRM1 (0.63) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL31167614 0.91 OPRM1 (0.75) OPRM1OPRD1SLC6A2F2NTSR2
SCHEMBL29630770 0.91 SLC6A2 (0.67) OPRM1OPRD1SLC6A2
SCHEMBL29569657 0.90 OPRM1 (0.64) OPRM1OPRD1SLC6A2F2NTSR2
SCHEMBL31509501 0.90 NTSR1 (0.61) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL31411493 0.89 NTSR1 (0.62) OPRM1OPRD1SLC6A2NTSR2NTSR1

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