SCHEMBL30999548

SCHEMBL30999548

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CBr)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.68
▸ CCKAR P32238 2/20 0.63
▸ GHSR Q92847 1/20 0.60

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
SCHEMBL30999560 0.93 CCKBR (0.66) CCKBRCCKAR
SCHEMBL30999573 0.93 CCKBR (0.68) CCKBRCCKAR
SCHEMBL30999587 0.88 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999586 0.88 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999544 0.88 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999611 0.88 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999592 0.88 CCKBR (0.74) CCKBRCCKAR
SCHEMBL19465493 0.87 CCKBR (0.73) CCKBRCCKAR
Tetragastrin SCHEMBL9710788 0.87 CCKBR (0.70) CCKBRCCKAR
SCHEMBL18054010 0.87 CCKBR (0.70) CCKBRCCKAR

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
EP-4421082-A1 POLYPEPTIDE AND APPLICATION THEREOF AS CCK RECEPTOR AGONIST/ANTAGONIST Centre for Regenerative Medicine and Health, Hong Kong Institute of Science & Innovation, Chinese Academy of Sciences Limited (HK) 2024-08-28 — — EP disclosed
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