SCHEMBL6159673

SCHEMBL6159673

O=C(OCc1ccccc1)c1cccc(NC(=O)c2nc(C3CCCCN3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.53

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
SCHEMBL6160397 0.98 CCKBR (0.52) CCKBR
SCHEMBL6163512 0.98 CCKBR (0.52) CCKBR
SCHEMBL6163521 0.98 CCKBR (0.52) CCKBR
SCHEMBL6159394 0.88
SCHEMBL6158444 0.87 CCKBR (0.60) CCKBR
SCHEMBL6158436 0.87 CCKBR (0.60) CCKBR
SCHEMBL6163615 0.86
SCHEMBL6163624 0.86
SCHEMBL7688538 0.85 CCKBR (0.51) CCKBR
SCHEMBL7688542 0.85 CCKBR (0.51) 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 2 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