SCHEMBL31410856

SCHEMBL31410856

C[C@@H](O)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.47
CTSD P07339 3/20 0.47
NPY4R P50391 3/20 0.43
NPY1R P25929 2/20 0.43
NPY2R P49146 2/20 0.43
NPY5R Q15761 2/20 0.43
KEAP1 Q14145 1/20 0.42
ENPEP Q07075 5/20 0.42

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
SCHEMBL30903440 0.92 BACE1 (0.43) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31674373 0.91 NPY4R (0.44) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31410839 0.91 BACE1 (0.48) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31307230 0.90 KISS1R (0.48) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29735980 0.90 KEAP1 (0.47) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29736168 0.90 KEAP1 (0.47) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL31393361 0.89 ENPEP (0.44) NPY4RNPY1RNPY2RNPY5RENPEP
SCHEMBL29594832 0.89 NPY4R (0.43) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL29850992 0.89 PDCD1LG2 (0.49) BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL30933209 0.89 NPY4R (0.51) BACE1CTSDNPY4RNPY1RNPY2R

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