SCHEMBL1383403

SCHEMBL1383403

O=C(c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.79
PKLR P30613 2/20 0.51

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
SCHEMBL1382876 0.91 CCKBR (0.76) CCKBR
SCHEMBL27639529 0.90 CCKBR (0.66) CCKBRPKLR
SCHEMBL1384694 0.86 CCKBR (1.00) CCKBR
SCHEMBL1386421 0.86 CCKBR (1.00) CCKBR
SCHEMBL1381588 0.86 CCKBR (1.00) CCKBR
SCHEMBL4693850 0.84 CCKBR (0.61) CCKBRPKLR
SCHEMBL1385849 0.84 CCKBR (0.81) CCKBRPKLR
SCHEMBL1888150 0.83 CCKBR (0.54) CCKBR
SCHEMBL1885935 0.81 CCKBR (0.51) CCKBR
SCHEMBL27636587 0.80 CCKBR (0.63) 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