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Sugi Predict / Compounds / SCHEMBL30116351

SCHEMBL30116351

SCHEMBL30116351

NCCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.65
▸ OPRM1 P35372 5/20 0.65
▸ NTSR1 P30989 4/20 0.51
▸ NTSR2 O95665 3/20 0.51
▸ SORT1 Q99523 3/20 0.51
▸ SLC6A2 P23975 1/20 0.50
▸ F2 P00734 1/20 0.49

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
SCHEMBL30287598 0.97 OPRD1 (0.62) OPRD1OPRM1NTSR1NTSR2SORT1
SCHEMBL30116350 0.96 OPRD1 (0.59) OPRD1OPRM1NTSR1NTSR2SORT1
SCHEMBL30631183 0.96 OPRD1 (0.60) OPRD1OPRM1NTSR1NTSR2SORT1
SCHEMBL30116346 0.95 OPRD1 (0.59) OPRD1OPRM1
SCHEMBL30116343 0.95 OPRD1 (0.59) OPRD1OPRM1
SCHEMBL30533414 0.95 OPRD1 (0.59) OPRD1OPRM1NTSR1NTSR2SORT1
SCHEMBL29765222 0.95 OPRM1 (0.62) OPRD1OPRM1NTSR1NTSR2SORT1
SCHEMBL30629451 0.95 OPRD1 (0.59) OPRD1OPRM1NTSR1NTSR2SORT1
SCHEMBL30116347 0.93 OPRD1 (0.57) OPRD1OPRM1NTSR1NTSR2SORT1
SCHEMBL30503059 0.93 OPRD1 (0.56) OPRD1OPRM1NTSR1NTSR2SORT1

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
CN-116209475-A Therapeutic uses comprising a triple agonist long-acting conjugate or a combination of triple agonists 韩美药品株式会社 2023-06-02 — — CN disclosed
CN-115697375-A Pharmaceutical composition comprising GLP-2 derivatives or long-acting conjugates thereof for the prevention or treatment of mucositis induced by radiotherapy, chemotherapy or a combination thereof 韩美药品株式会社 2023-02-03 — — CN disclosed
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