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Sugi Predict / Compounds / SCHEMBL8939544

SCHEMBL8939544

SCHEMBL8939544

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 18/20 0.72
▸ CCKAR P32238 4/20 0.64

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
SCHEMBL8939571 0.91 CCKBR (0.71) CCKBRCCKAR
SCHEMBL8939512 0.91 CCKBR (0.71) CCKBRCCKAR
SCHEMBL8939493 0.91 CCKBR (0.71) CCKBRCCKAR
SCHEMBL22133112 0.90 CCKBR (0.73) CCKBRCCKAR
SCHEMBL11568709 0.90 CCKBR (0.78) CCKBRCCKAR
SCHEMBL11568088 0.89 CCKBR (0.80) CCKBRCCKAR
SCHEMBL11568613 0.88 CCKBR (0.92) CCKBRCCKAR
SCHEMBL30638854 0.85 CTSL (0.71) CCKBR
SCHEMBL3825352 0.85 ACE (0.78) CCKBR
SCHEMBL31484559 0.85 ACE (0.78) CCKBR

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
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 — — EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 — — US disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 — — EP disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 — — WO disclosed