SCHEMBL30666352

SCHEMBL30666352

N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ GSTK1 Q9Y2Q3 1/20 0.32
▸ CCKAR P32238 1/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ NMT2 O60551 1/20 0.31
▸ NMT1 P30419 1/20 0.31

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
SCHEMBL30037432 0.92 OPRD1 (0.34) OPRD1OPRM1PTGS1GSTK1
SCHEMBL1371052 0.92 OPRD1 (0.34) OPRD1OPRM1PTGS1GSTK1
SCHEMBL29630362 0.91 PTGS1 (0.34) OPRD1OPRM1PTGS1GSTK1CCKAR
SCHEMBL31109168 0.90 PTGS1 (0.34) OPRD1OPRM1PTGS1GSTK1
SCHEMBL30666390 0.89 MME (0.37) —
SCHEMBL29912491 0.89 MME (0.40) —
SCHEMBL29494071 0.89 MME (0.40) —
SCHEMBL29630845 0.89 PTGS1 (0.35) OPRD1OPRM1PTGS1GSTK1
SCHEMBL30627705 0.89 PTGS1 (0.35) OPRD1OPRM1PTGS1GSTK1
SCHEMBL34464905 0.88 PTGS1 (0.36) OPRD1OPRM1PTGS1GSTK1

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-117143182-A Polypeptide enzyme-like catalyst and preparation method thereof 中国科学院青岛生物能源与过程研究所 2023-12-01 — — CN claimed
CN-117143182-A Polypeptide enzyme-like catalyst and preparation method thereof 中国科学院青岛生物能源与过程研究所 2023-12-01 — — CN disclosed
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