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SCHEMBL31255808

SCHEMBL31255808

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.43
▸ OPRK1 P41145 10/20 0.43
▸ OPRD1 P41143 9/20 0.43
▸ GLP1R P43220 8/20 0.40
▸ SCTR P47872 1/20 0.40

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
SCHEMBL30884234 0.98 OPRM1 (0.44) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL30175817 0.96 OPRM1 (0.40) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL30343345 0.94 OPRM1 (0.45) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL31175849 0.94 OPRM1 (0.39) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL30836835 0.93 OPRM1 (0.40) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL31461628 0.92 OPRM1 (0.45) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL30242087 0.91 OPRM1 (0.42) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL31084303 0.91 OPRM1 (0.39) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL30208675 0.91 GLP1R (0.48) OPRM1OPRK1OPRD1GLP1RSCTR
SCHEMBL30175807 0.90 REN (0.39) OPRM1OPRK1OPRD1GLP1RSCTR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080911-B Semex lattice Synthesis method of lupeptide 中肽生化有限公司 2025-03-07 — — CN claimed
CN-119080911-A Semex lattice Synthesis method of lupeptide 中肽生化有限公司 2024-12-06 — — CN claimed
CN-119080911-B Semex lattice Synthesis method of lupeptide 中肽生化有限公司 2025-03-07 — — CN disclosed
CN-119080911-A Semex lattice Synthesis method of lupeptide 中肽生化有限公司 2024-12-06 — — CN disclosed
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