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Sugi Predict / Compounds / SCHEMBL31307276

SCHEMBL31307276

SCHEMBL31307276

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 12/20 0.60
▸ NTSR2 O95665 10/20 0.60
▸ SORT1 Q99523 8/20 0.60
▸ OPRD1 P41143 2/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ KDM1A O60341 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 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
SCHEMBL31415954 0.94 KDM1A (0.56) NTSR1NTSR2SORT1OPRM1OPRK1
SCHEMBL31738531 0.90 NTSR1 (0.66) NTSR1NTSR2SORT1KDM1AMAOB
SCHEMBL31548697 0.90 NTSR1 (0.66) NTSR1NTSR2SORT1KDM1AMAOB
SCHEMBL30176214 0.89 KDM1A (0.60) KDM1AMAOBKDM5AKDM1BNPY1R
SCHEMBL31378887 0.89 KDM1A (0.53) OPRM1OPRK1KDM1AMAOBKDM5A
SCHEMBL30978826 0.89 NPY2R (0.57) KDM1AMAOBKDM5AKDM1BNPY1R
SCHEMBL1421525 0.88 NTSR1 (0.72) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL1421513 0.88 NTSR1 (0.72) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL1421598 0.88 NTSR1 (0.72) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL1421605 0.88 NTSR1 (0.72) NTSR1NTSR2SORT1OPRD1OPRM1

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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