SCHEMBL31410839

SCHEMBL31410839

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.48
NPY4R P50391 6/20 0.47
NPY1R P25929 4/20 0.47
NPY2R P49146 2/20 0.47
NPY5R Q15761 2/20 0.47
CTSD P07339 2/20 0.47
KISS1R Q969F8 3/20 0.46
KEAP1 Q14145 1/20 0.45
VIPR2 P41587 2/20 0.45
VIPR1 P32241 1/20 0.45

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
SCHEMBL31307230 0.95 KISS1R (0.48) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31307257 0.93 KISS1R (0.50) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31344448 0.93 NPY4R (0.49) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30903440 0.93 BACE1 (0.43) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10592868 0.92 BACE1 (0.51) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10592877 0.92 BACE1 (0.51) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31307247 0.92 KISS1R (0.49) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31379768 0.91 NPY4R (0.51) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31344443 0.91 NPY4R (0.51) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31410856 0.91 BACE1 (0.47) BACE1NPY4RNPY1RNPY2RNPY5R

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