SCHEMBL6163872

SCHEMBL6163872

O=C(O)CCc1ccc(NC(=O)c2nc(C3CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.53
EPHX2 P34913 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL6159447 0.87 CCKBR (0.57) CCKBR
SCHEMBL6159725 0.87 CCKBR (0.53) CCKBR
SCHEMBL6160920 0.84 CCKBR (0.61) CCKBR
SCHEMBL6158136 0.83 CCKBR (0.64) CCKBR
SCHEMBL6158204 0.83 CCKBR (0.62) CCKBR
SCHEMBL6158977 0.82 CCKBR (0.61) CCKBR
SCHEMBL6158243 0.82 CCKBR (0.57) CCKBR
SCHEMBL6160238 0.82 CCKBR (0.57) CCKBR
SCHEMBL6159920 0.82 CCKBR (0.45) CCKBR
SCHEMBL6159832 0.82 CCKBR (0.77) 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