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Sugi Predict / Compounds / Ceruletide

Ceruletide

Ceruletide

SCHEMBL6836302

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.C[N+](C)(C)CC(O)CC(=O)[O-]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Ceruletide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKAR known ✓ P32238 5/20 0.62
▸ CCKBR P32239 11/20 0.62
▸ IL23R Q5VWK5 2/20 0.53

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
Ceruletide SCHEMBL29520 0.95 CCKBR (0.69) CCKBRCCKARIL23R
Ceruletide SCHEMBL23148172 0.94 CCKBR (0.69) CCKBRCCKARIL23R
Ceruletide SCHEMBL8963088 0.93 CCKBR (0.67) CCKBRCCKARIL23R
Ceruletide SCHEMBL122757 0.93 CCKBR (0.66) CCKBRCCKARIL23R
Ceruletide SCHEMBL511740 0.89 CCKBR (0.62) CCKBRCCKARIL23R
Ceruletide SCHEMBL20774551 0.86 CCKBR (0.58) CCKBRCCKARIL23R
SCHEMBL11217188 0.86 CCKBR (0.64) CCKBRCCKARIL23R
Ceruletide SCHEMBL8200799 0.82 CCKBR (0.50) CCKBRCCKARIL23R
Ceruletide SCHEMBL20775134 0.82 CCKBR (0.52) CCKBRCCKARIL23R
Caerulin SCHEMBL29597850 0.81 CCKBR (0.80) CCKBRCCKARIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040115258-A1 Oral pharmaceutical compositions containing cyclodextrins as taste masking agent ELAN PHARMA SA (CH) 2004-06-17 — — US disclosed
EP-1347781-A1 ORAL PHARMACEUTICAL COMPOSITIONS CONTAINING CYCLODEXTRINS AS TASTE MASKING AGENT ELAN CORPORATION, Plc (IE) 2003-10-01 — — EP disclosed
WO-2002041920-A1 ORAL PHARMACEUTICAL COMPOSITIONS CONTAINING CYCLODEXTRINS AS TASTE MASKING AGENT ELAN CORPORATION, PLC (US) 2002-05-30 — — WO disclosed