SCHEMBL29575686

SCHEMBL29575686

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.49
OPRM1 P35372 8/20 0.49
OPRK1 P41145 3/20 0.49
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
PGGT1B P53609 3/20 0.48
C3AR1 Q16581 1/20 0.46
ERAP2 Q6P179 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
GNPAT O15228 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
SCHEMBL29630731 0.98 OPRD1 (0.51) OPRD1OPRM1OPRK1FNTAFNTB
SCHEMBL30626300 0.95 OPRD1 (0.53) OPRD1OPRM1OPRK1GNPAT
SCHEMBL29630522 0.95 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL30692724 0.94 OPRD1 (0.53) OPRD1OPRM1OPRK1GNPAT
SCHEMBL29569045 0.93 OPRM1 (0.47) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29630648 0.93 OPRD1 (0.47) OPRD1OPRM1OPRK1FNTAFNTB
SCHEMBL29568713 0.92 ERAP2 (0.51) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29569091 0.92 ERAP2 (0.51) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL31512208 0.92 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL6245466 0.92 NPY4R (0.53) OPRD1OPRM1OPRK1

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
CN-114369150-B Mptx2 protein and application thereof in treating methicillin-resistant staphylococcus aureus infection related diseases 上海市儿科医学研究所 2023-10-31 CN disclosed
CN-114369150-A Mptx2 protein and application thereof in treating methicillin-resistant staphylococcus aureus infection-related diseases 上海市儿科医学研究所 2022-04-19 CN disclosed