SCHEMBL8939531

SCHEMBL8939531

CC(C)(C)OC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.60
CCKAR P32238 6/20 0.57
TACR1 P25103 1/20 0.55

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
SCHEMBL8939547 0.93 CCKBR (0.64) CCKBRCCKAR
SCHEMBL8939512 0.91 CCKBR (0.71) CCKBRCCKAR
SCHEMBL8939571 0.91 CCKBR (0.71) CCKBRCCKAR
SCHEMBL8939493 0.91 CCKBR (0.71) CCKBRCCKAR
SCHEMBL9710590 0.87 CCKBR (0.76) CCKBRCCKAR
SCHEMBL9710584 0.87 CCKBR (0.76) CCKBRCCKAR
SCHEMBL10629827 0.87 TACR1 (0.59) CCKBRTACR1
SCHEMBL10629835 0.87 TACR1 (0.59) CCKBRTACR1
SCHEMBL8939474 0.84 CCKBR (0.69) CCKBRCCKAR
SCHEMBL8939563 0.84 CCKBR (0.62) 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 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