SCHEMBL6161319

SCHEMBL6161319

O=C(O)c1cccc(OC(=O)c2nc(C3CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.56

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
SCHEMBL6159477 0.83 CCKBR (0.77) CCKBR
SCHEMBL6159832 0.83 CCKBR (0.77) CCKBR
SCHEMBL6160269 0.83 CCKBR (0.77) CCKBR
SCHEMBL6158220 0.82 CCKBR (0.76) CCKBR
SCHEMBL6158657 0.80 CCKBR (0.47) CCKBR
SCHEMBL6159839 0.80
SCHEMBL6159433 0.79 CCKBR (0.47) CCKBR
SCHEMBL6161331 0.79 CCKBR (0.74) CCKBR
SCHEMBL6158126 0.78 CCKBR (0.70) CCKBR
SCHEMBL6158136 0.77 CCKBR (0.64) 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-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed