SCHEMBL6159947

SCHEMBL6159947

O=C(OCc1ccccc1)c1cccc(NC(=O)c2nc(C3C4C=CC3C=C4)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.65
RAB9A P51151 1/20 0.44

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
SCHEMBL6159940 0.90 CCKBR (0.79) CCKBR
SCHEMBL7083603 0.89 CCKBR (0.81) CCKBRRAB9A
SCHEMBL6161680 0.88 CCKBR (0.60) CCKBRRAB9A
SCHEMBL6161619 0.88 CCKBR (0.60) CCKBRRAB9A
SCHEMBL6160458 0.85 CCKBR (0.46) CCKBR
SCHEMBL6158481 0.83 CCKBR (0.56) CCKBRRAB9A
SCHEMBL6159346 0.82 CCKBR (0.81) CCKBR
SCHEMBL6160887 0.79 CCKBR (1.00) CCKBR
SCHEMBL6159682 0.79 CCKBR (1.00) CCKBR
SCHEMBL6160905 0.79 CCKBR (1.00) 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-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed