Sugi Predict

Sugi Predict / Compounds / SCHEMBL29630445

SCHEMBL29630445

SCHEMBL29630445

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.59
▸ OPRM1 P35372 4/20 0.57
▸ NTSR2 O95665 3/20 0.55
▸ NTSR1 P30989 3/20 0.55
▸ SORT1 Q99523 3/20 0.55

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
SCHEMBL29591862 0.95 SLC6A2 (0.60) SLC6A2OPRM1NTSR2NTSR1
SCHEMBL29591691 0.93 SLC6A2 (0.58) SLC6A2OPRM1NTSR2NTSR1SORT1
SCHEMBL30004616 0.93 OPRM1 (0.57) SLC6A2OPRM1
SCHEMBL30004706 0.91 F2 (0.58) SLC6A2OPRM1
SCHEMBL31316687 0.90 OPRM1 (0.63) SLC6A2OPRM1
SCHEMBL30853506 0.90 NTSR2 (0.63) SLC6A2NTSR2NTSR1SORT1
SCHEMBL29470188 0.89 OPRM1 (0.61) SLC6A2OPRM1
SCHEMBL29780362 0.89 OPRM1 (0.69) SLC6A2OPRM1
SCHEMBL30005604 0.89 F2 (0.59) OPRM1
SCHEMBL30563280 0.89 SLC6A2 (0.52) SLC6A2OPRM1NTSR2NTSR1

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