SCHEMBL30999593

SCHEMBL30999593

CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc(Br)c1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.54
▸ GRPR P30550 1/20 0.49
▸ CCKAR P32238 4/20 0.49

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
SCHEMBL30999615 0.89 CCKBR (0.59) CCKBRCCKAR
SCHEMBL30999522 0.88 CCKBR (0.62) CCKBRCCKAR
SCHEMBL30999589 0.88 CCKBR (0.55) CCKBRCCKAR
SCHEMBL30999578 0.88 CCKBR (0.66) CCKBRCCKAR
SCHEMBL30999647 0.88 GHSR (0.57) CCKBR
SCHEMBL30999648 0.87 CCKBR (0.62) CCKBRCCKAR
SCHEMBL9074213 0.87 CCKBR (0.60) CCKBRCCKAR
SCHEMBL9074217 0.87 CCKBR (0.60) CCKBRCCKAR
SCHEMBL30999518 0.87 CCKBR (0.46) CCKBRCCKAR
SCHEMBL30045690 0.83 CCKBR (0.60) 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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