SCHEMBL31410880

SCHEMBL31410880

N=C(N)NCCC[C@H](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](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.58
OPRD1 P41143 5/20 0.58
EPHA2 P29317 2/20 0.56
NTSR2 O95665 3/20 0.55
NTSR1 P30989 3/20 0.55
SORT1 Q99523 3/20 0.55
NMUR2 Q9GZQ4 1/20 0.54
NMUR1 Q9HB89 1/20 0.54
NPFFR1 Q9GZQ6 2/20 0.53
NPFFR2 Q9Y5X5 2/20 0.53
SLC6A2 P23975 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
SCHEMBL32664435 0.97 NTSR2 (0.58) OPRM1OPRD1NTSR2NTSR1SORT1
SCHEMBL31676699 0.92 OPRM1 (0.57) OPRM1OPRD1NTSR2NTSR1SORT1
SCHEMBL30038002 0.92 NPY4R (0.59) OPRM1OPRD1NPFFR1NPFFR2
SCHEMBL30610291 0.89 NMUR2 (0.59) OPRM1OPRD1EPHA2NMUR2NMUR1
SCHEMBL31410846 0.89 EPHA2 (0.58) OPRM1OPRD1EPHA2NTSR2NTSR1
SCHEMBL31676697 0.88 OPRM1 (0.59) OPRM1OPRD1NPFFR1NPFFR2
SCHEMBL29548698 0.88 OPRM1 (0.55) OPRM1OPRD1NMUR2NMUR1NPFFR1
SCHEMBL30974592 0.88 F2 (0.58) OPRM1OPRD1EPHA2NPFFR1NPFFR2
SCHEMBL29496918 0.88 SLC6A2 (0.57) OPRM1OPRD1EPHA2NTSR2NTSR1
SCHEMBL29496917 0.88 SLC6A2 (0.57) OPRM1OPRD1EPHA2NTSR2NTSR1

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-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