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SCHEMBL31415949

SCHEMBL31415949

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.63
▸ NTSR1 P30989 8/20 0.58
▸ NTSR2 O95665 7/20 0.58
▸ SORT1 Q99523 4/20 0.58
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 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
SCHEMBL31307281 0.93 SLC6A2 (0.58) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL31410865 0.90 SLC6A2 (0.64) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL38663397 0.89 NPY2R (0.56) SLC6A2NTSR1NTSR2SORT1
SCHEMBL29418159 0.89 SLC6A2 (0.64) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL30752392 0.87 SLC6A2 (0.71) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL30335654 0.87 NTSR1 (0.55) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL31307249 0.86 SLC6A2 (0.66) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL30327395 0.86 SLC6A2 (0.55) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL29362021 0.86 SLC6A2 (0.70) SLC6A2NTSR1NTSR2SORT1OPRM1
SCHEMBL29531238 0.86 SLC6A2 (0.71) SLC6A2NTSR1NTSR2SORT1OPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025002590-A1 TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS UNIWERSYTET GDÁNSKI (PL) 2025-01-02 — — WO claimed
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