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SCHEMBL31307227

SCHEMBL31307227

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.54
▸ CALCR P30988 4/20 0.54
▸ CALCRL Q16602 3/20 0.52
▸ RAMP1 O60894 1/20 0.52
▸ CRHR1 P34998 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ F2 P00734 1/20 0.50

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
SCHEMBL30432401 0.87 CALCR (0.61) OPRD1CALCRCALCRLCRHR1CRHR2
SCHEMBL29867671 0.86 F2 (0.62) CALCRF2
SCHEMBL30262116 0.85 F2 (0.62) OPRD1CALCRF2
SCHEMBL30495701 0.85 NPY2R (0.64) —
SCHEMBL31191392 0.84 OPRD1 (0.52) OPRD1
SCHEMBL30607467 0.84 CALCR (0.64) CALCRCRHR1CRHR2F2
SCHEMBL30904441 0.83 CALCRL (0.57) OPRD1CALCRLRAMP1F2
SCHEMBL30320521 0.83 CALCR (0.60) CALCRF2
SCHEMBL31683251 0.83 OPRD1 (0.60) OPRD1CALCR
SCHEMBL31191386 0.83 MAPK8 (0.56) OPRD1CALCR

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 5 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
EP-4484955-A1 METHOD FOR SCREENING OF EXTRACELLULAR TISSUE PEPTIDES IN MAMMALIAN TISSUE SAMPLES FOR HEALTH STATUS EVALUATION, DISEASE DIAGNOSTICS AND NEOANTIGEN DISCOVERY Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
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