SCHEMBL29630545

SCHEMBL29630545

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
ACE P12821 1/20 0.49
NMUR2 Q9GZQ4 1/20 0.48
NMUR1 Q9HB89 1/20 0.48

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
SCHEMBL29591867 0.95 SLC6A2 (0.52) SLC6A2NMUR2NMUR1
SCHEMBL31679454 0.93 SLC6A2 (0.56) SLC6A2ACE
SCHEMBL30584552 0.90 OPRM1 (0.49) SLC6A2NMUR2NMUR1
SCHEMBL30424056 0.88 SLC6A2 (0.53) SLC6A2NMUR2NMUR1
SCHEMBL29591920 0.88 OPRM1 (0.56) SLC6A2NMUR2NMUR1
SCHEMBL29630448 0.87 NMUR2 (0.51) SLC6A2ACENMUR2NMUR1
SCHEMBL30004616 0.86 OPRM1 (0.57) SLC6A2
SCHEMBL8521204 0.85 SLC6A2 (0.56) SLC6A2NMUR2NMUR1
SCHEMBL30495428 0.85 OPRM1 (0.54) SLC6A2
SCHEMBL29592328 0.85 ACE (0.52) ACE

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