SCHEMBL30992045

SCHEMBL30992045

CSCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.51
▸ OPRD1 P41143 4/20 0.51
▸ SLC6A2 P23975 1/20 0.49
▸ NTSR2 O95665 2/20 0.49
▸ NTSR1 P30989 2/20 0.49
▸ NMUR2 Q9GZQ4 2/20 0.45
▸ NMUR1 Q9HB89 2/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ NPY1R P25929 1/20 0.45

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
SCHEMBL30915204 0.90 SLC6A2 (0.51) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL29591952 0.89 SLC6A2 (0.54) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL29590354 0.85 SLC6A2 (0.56) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL29592679 0.84 OPRM1 (0.53) OPRM1OPRD1SLC6A2
SCHEMBL30454442 0.84 OPRM1 (0.57) OPRM1OPRD1SLC6A2NMUR2NMUR1
SCHEMBL30682151 0.84 NMUR2 (0.57) SLC6A2NTSR2NTSR1NMUR2NMUR1
SCHEMBL30503065 0.83 OPRD1 (0.60) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL29591920 0.83 OPRM1 (0.56) OPRM1OPRD1SLC6A2NMUR2NMUR1
SCHEMBL29591862 0.82 SLC6A2 (0.60) OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL30563280 0.81 SLC6A2 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027139-A Polypeptide MQGPNY for inhibiting novel crown main protease and preparation method and application thereof 佛山科学技术学院 2024-05-14 — — CN claimed
CN-118027139-A Polypeptide MQGPNY for inhibiting novel crown main protease and preparation method and application thereof 佛山科学技术学院 2024-05-14 — — CN disclosed
CN-118027139-A Polypeptide MQGPNY for inhibiting novel crown main protease and preparation method and application thereof 佛山科学技术学院 2024-05-14 — — CN disclosed
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