SCHEMBL31410869

SCHEMBL31410869

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 11/20 0.41
NPY1R P25929 6/20 0.41
NPY2R P49146 4/20 0.41
NPY5R Q15761 4/20 0.41
KEAP1 Q14145 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PTGS1 P23219 1/20 0.33
GSTK1 Q9Y2Q3 1/20 0.33
GNAI3 P08754 1/20 0.33

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
SCHEMBL29531427 1.00 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL29630657 0.95 KEAP1 (0.39) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL29575475 0.88 MME (0.41) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL8526711 0.87 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL8526706 0.87 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL27086265 0.87 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL27086281 0.87 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL29736292 0.86 OPRL1 (0.45) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30898573 0.85 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL30792493 0.85 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RDPP7

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