SCHEMBL1888872

SCHEMBL1888872

O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCCc2cc(F)ccc2C1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.66

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
SCHEMBL1385673 0.91 CCKBR (0.71) CCKBR
SCHEMBL1885969 0.91 CCKBR (0.73) CCKBR
SCHEMBL1382483 0.91 CCKBR (0.66) CCKBR
SCHEMBL1891185 0.87 CCKBR (0.70) CCKBR
SCHEMBL1381855 0.85 CCKBR (0.83) CCKBR
SCHEMBL1383324 0.85 CCKBR (0.83) CCKBR
SCHEMBL1386685 0.81 CCKBR (0.71) CCKBR
SCHEMBL1885010 0.81 CCKBR (0.79) CCKBR
SCHEMBL1381771 0.80 CCKBR (0.75) CCKBR
SCHEMBL1386421 0.80 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
US-7947833-B2 methods that are useful in the preparation of amidophenyl-sulfonylamino-quinoxaline compounds CCK2 modulators are disclosed by sulfonylation JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed