SCHEMBL1385983

SCHEMBL1385983

O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOc2cc(F)cc(F)c2C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.70
PKLR P30613 4/20 0.43

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
SCHEMBL1892422 0.92 CCKBR (0.69) CCKBR
SCHEMBL1886184 0.92 CCKBR (0.69) CCKBR
SCHEMBL4693850 0.91 CCKBR (0.61) CCKBRPKLR
SCHEMBL1385770 0.90 CCKBR (0.70) CCKBRPKLR
SCHEMBL1383670 0.86 CCKBR (0.75) CCKBR
SCHEMBL1384694 0.83 CCKBR (1.00) CCKBR
SCHEMBL1881790 0.81 CCKBR (0.70) CCKBR
SCHEMBL1891185 0.81 CCKBR (0.70) CCKBR
SCHEMBL1386273 0.80 CCKBR (0.83) CCKBR
SCHEMBL1381335 0.80 CCKBR (0.83) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4818110-B2 2011-11-16 JP claimed
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