SCHEMBL4747136

SCHEMBL4747136

O=C(c1ccc(Br)cc1NS(=O)(=O)c1c(F)cccc1F)N1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.80
CCKAR P32238 1/20 0.49

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
SCHEMBL4749841 0.89 CCKBR (1.00) CCKBRCCKAR
SCHEMBL4750461 0.87 CCKBR (0.63) CCKBR
SCHEMBL3740816 0.79 CCKBR (0.67) CCKBR
SCHEMBL1381588 0.77 CCKBR (1.00) CCKBR
SCHEMBL4787877 0.77 CCKBR (0.74) CCKBR
SCHEMBL13792710 0.77 CCKBR (1.00) CCKBR
SCHEMBL29897652 0.76 MAPT (0.57)
SCHEMBL968813 0.76 MAPT (0.57)
SCHEMBL14041933 0.76 CCKBR (0.77) CCKBR
SCHEMBL15288583 0.75 CCKBR (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124524-A2 ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO claimed