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SCHEMBL31410865

SCHEMBL31410865

CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.64
▸ OPRD1 P41143 6/20 0.60
▸ OPRM1 P35372 5/20 0.60
▸ NTSR1 P30989 6/20 0.58
▸ NTSR2 O95665 5/20 0.58
▸ SORT1 Q99523 3/20 0.58
▸ OPRK1 P41145 1/20 0.56

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
SCHEMBL31307249 0.96 SLC6A2 (0.66) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL31410882 0.94 SLC6A2 (0.67) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL31415949 0.90 SLC6A2 (0.63) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL31473061 0.89 NTSR1 (0.52) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL29530950 0.88 SLC6A2 (0.70) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL29530789 0.88 SLC6A2 (0.70) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL29516548 0.88 NTSR1 (0.57) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL29753383 0.87 OPRM1 (0.57) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL30980373 0.87 NTSR1 (0.62) SLC6A2OPRD1OPRM1NTSR1NTSR2
SCHEMBL31018333 0.86 CALCR (0.55) 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
WO-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 — — WO claimed
WO-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 — — WO disclosed
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