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SCHEMBL30725654

SCHEMBL30725654

CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 10/20 0.54
▸ NMUR1 Q9HB89 9/20 0.54
▸ APLNR P35414 4/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ F2 P00734 2/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53

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
SCHEMBL29353193 0.85 OPRD1 (0.63) OPRD1OPRM1OPRK1NTSR2NTSR1
SCHEMBL29357887 0.85 OPRD1 (0.63) OPRD1OPRM1OPRK1NTSR2NTSR1
SCHEMBL30712242 0.83 OPRD1 (0.66) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL29352561 0.81 KEAP1 (0.64) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL31473061 0.81 NTSR1 (0.52) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL30273396 0.81 NPY2R (0.58) OPRD1OPRM1OPRK1
SCHEMBL30980371 0.80 NMUR2 (0.61) NMUR2NMUR1F2NTSR2NTSR1
SCHEMBL29418159 0.80 SLC6A2 (0.64) NMUR2NMUR1OPRD1OPRM1OPRK1
SCHEMBL30844317 0.80 MAPK8 (0.60) OPRM1OPRK1
SCHEMBL29680032 0.80 MAPK8 (0.56) F2NTSR2NTSR1

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
EP-4540275-A1 COMPOSITIONS AND METHODS COMPRISING PENETRATING PEPTIDES Schweighoffer, Fabien (FR) 2025-04-23 — — EP disclosed
CN-117603305-A Anti-aging and antioxidant polypeptide for calculating biological virtual screening rice chaff, application and composition thereof 百特威(上海)化妆品有限公司 2024-02-27 — — CN disclosed
WO-2023247889-A1 COMPOSITIONS AND METHODS COMPRISING PENETRATING PEPTIDES SCHWEIGHOFFER FABIEN (FR) 2023-12-28 — — WO disclosed
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