SCHEMBL31349358

SCHEMBL31349358

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 8/20 0.40
NPY1R P25929 5/20 0.40
NPY2R P49146 4/20 0.40
NPY5R Q15761 4/20 0.40
OPRL1 P41146 2/20 0.39
PTGS1 P23219 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
CXCR4 P61073 1/20 0.38
KEAP1 Q14145 1/20 0.37

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
SCHEMBL7306618 0.94 PTGS1 (0.43) NPY4RNPY1RNPY2RNPY5RPTGS1
SCHEMBL30974097 0.93 GLO1 (0.41) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL7394659 0.93 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL13496859 0.93 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL19791172 0.91 PTGS1 (0.41) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL31127543 0.90 PTGS1 (0.41) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL14027228 0.88 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL9448545 0.88 BMP1 (0.42) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL30521941 0.88 OPRL1 (0.43) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL31099287 0.88 NOD1 (0.45) NPY4RNPY1RNPY2RNPY5RKEAP1

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
CN-119409760-A Conjugation method of sulfanilic acid and polypeptide 中南民族大学 2025-02-11 CN disclosed