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SCHEMBL31410846

SCHEMBL31410846

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.58
▸ NTSR2 O95665 10/20 0.56
▸ NTSR1 P30989 10/20 0.56
▸ SORT1 Q99523 10/20 0.56
▸ SLC6A2 P23975 1/20 0.55
▸ C5AR1 P21730 1/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ KDM1A O60341 1/20 0.52
▸ RAMP3 O60896 1/20 0.52
▸ CALCR P30988 1/20 0.52

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
SCHEMBL31257023 0.92 EPHA2 (0.57) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL30906001 0.90 SLC6A2 (0.59) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL31415963 0.89 EPHA2 (0.62) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL31307234 0.89 EPHA2 (0.61) EPHA2SLC6A2C5AR1KDM1ARAMP3
SCHEMBL31410880 0.89 OPRM1 (0.58) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL30906006 0.88 NTSR1 (0.57) NTSR2NTSR1SORT1SLC6A2C5AR1
SCHEMBL30953195 0.87 SLC6A2 (0.61) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL31307252 0.87 EPHA2 (0.63) EPHA2SLC6A2C5AR1OPRM1OPRD1
SCHEMBL9807245 0.87 EPHA2 (0.61) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL30320529 0.87 KDM1A (0.57) EPHA2NTSR2NTSR1SORT1KDM1A

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