SCHEMBL30666376

SCHEMBL30666376

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.39
▸ OPRD1 P41143 3/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ OPRK1 P41145 1/20 0.37
▸ F2 P00734 4/20 0.37
▸ REN P00797 3/20 0.36
▸ SLC15A2 Q16348 1/20 0.35
▸ GRPR P30550 1/20 0.35
▸ APLNR P35414 1/20 0.34

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
SCHEMBL30666350 0.90 SLC15A2 (0.37) KEAP1F2SLC15A2
SCHEMBL31256943 0.88 OPRM1 (0.42) OPRM1OPRD1PTPN1OPRK1
SCHEMBL259179 0.87 SLC15A2 (0.38) SLC15A2
SCHEMBL259178 0.87 SLC15A2 (0.38) SLC15A2
SCHEMBL31757236 0.86 F2 (0.42) OPRM1OPRD1KEAP1OPRK1F2
SCHEMBL416409 0.86 OPRM1 (0.39) OPRM1OPRD1PTPN1OPRK1APLNR
SCHEMBL416410 0.86 OPRM1 (0.39) OPRM1OPRD1PTPN1OPRK1APLNR
SCHEMBL31257976 0.85 EGFR (0.40) OPRM1OPRD1PTPN1OPRK1REN
SCHEMBL31258095 0.85 EGFR (0.40) OPRM1OPRD1PTPN1OPRK1REN
SCHEMBL29630686 0.85 OPRD1 (0.38) OPRM1OPRD1PTPN1OPRK1SLC15A2

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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