SCHEMBL31347658

SCHEMBL31347658

C[C@@H](O)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.54
▸ SLC6A2 P23975 1/20 0.52
▸ CALCR P30988 4/20 0.51
▸ NTSR1 P30989 2/20 0.50
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ AGTR1 P30556 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ C5AR1 P21730 1/20 0.47
▸ NTSR2 O95665 1/20 0.47
▸ CALCRL Q16602 1/20 0.47
▸ CRHR1 P34998 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ NPY5R Q15761 1/20 0.46

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
SCHEMBL32691451 0.86 SLC6A2 (0.59) F2SLC6A2CALCRNTSR1C5AR1
SCHEMBL32691458 0.84 SLC6A2 (0.61) F2SLC6A2NTSR1C5AR1NTSR2
SCHEMBL32665685 0.84 F2 (0.52) F2SLC6A2CALCRHCRTR1HCRTR2
SCHEMBL31688311 0.83 CALCR (0.59) F2SLC6A2CALCRHCRTR1HCRTR2
SCHEMBL31516398 0.83 F2 (0.53) F2SLC6A2CALCRHCRTR1HCRTR2
SCHEMBL31516404 0.83 SLC6A2 (0.54) F2SLC6A2CALCRHCRTR1HCRTR2
SCHEMBL30824284 0.83 CALCR (0.64) F2CALCRNTSR1HCRTR1HCRTR2
SCHEMBL32691265 0.83 SLC6A2 (0.62) SLC6A2NTSR1AGTR1AGTR2C5AR1
SCHEMBL30523596 0.82 C5AR1 (0.62) F2CALCRC5AR1NPY2RNPY4R
SCHEMBL31276072 0.82 SLC6A2 (0.69) F2SLC6A2CALCRL

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 4 patents. 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
EP-4484954-A1 MHC CLASS I RESTRICTED IMMUNOPEPTIDE PATTERN FOR GENERATION OF ANTI-NSCLC VACCINES Uniwersytet Gdanski (PL) 2025-01-01 — — EP claimed
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 disclosed
EP-4484954-A1 MHC CLASS I RESTRICTED IMMUNOPEPTIDE PATTERN FOR GENERATION OF ANTI-NSCLC VACCINES Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
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