SCHEMBL31540548

SCHEMBL31540548

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.43
▸ RAMP1 O60894 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ ACE P12821 4/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ ELANE P08246 2/20 0.39
▸ PREP P48147 2/20 0.39
▸ ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL21462327 0.86 OPRD1 (0.49) F2ACEOPRD1PREPACE2
SCHEMBL31258873 0.86 OPRD1 (0.49) F2ACEOPRD1PREPACE2
SCHEMBL29444020 0.86 OPRD1 (0.49) F2ACEOPRD1PREPACE2
SCHEMBL30034009 0.84 OPRD1 (0.47) F2ACEOPRD1PREPACE2
SCHEMBL30366864 0.84 OPRD1 (0.48) F2ACEOPRD1PREPACE2
SCHEMBL28665306 0.84 OPRD1 (0.48) F2ACEOPRD1PREPACE2
SCHEMBL31113348 0.83 PSMB9 (0.46) F2OPRD1PREP
SCHEMBL31113349 0.83 ACE (0.47) ACEACE2
SCHEMBL2946630 0.83 FAP (0.40) CALCRLRAMP1F2OPRD1ELANE
SCHEMBL29467321 0.82 F2 (0.45) F2OPRD1PREP

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-119978062-A Synthesis method of anti-freeze glycopeptide polypeptide 安徽省国平药业有限公司 2025-05-13 — — CN disclosed
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