SCHEMBL4690393

SCHEMBL4690393

C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.50
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HCRTR1 O43613 8/20 0.42
HCRTR2 O43614 8/20 0.42
CYP3A4 P08684 8/20 0.42
KCNK3 O14649 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MTOR P42345 2/20 0.38

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
SCHEMBL4494740 1.00 CCKBR (0.50) CCKBRALOX5APFEN1KDM4EHCRTR1
SCHEMBL4693858 1.00 CCKBR (0.50) CCKBRALOX5APFEN1KDM4EHCRTR1
SCHEMBL4690394 0.86 CCKBR (0.51) CCKBRALOX5APFEN1KDM4EHCRTR1
SCHEMBL4494743 0.86 CCKBR (0.51) CCKBRALOX5APFEN1KDM4EHCRTR1
SCHEMBL4693862 0.86 CCKBR (0.51) CCKBRALOX5APFEN1KDM4EHCRTR1
SCHEMBL4694983 0.85 ALOX5AP (0.43) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4693804 0.85 ALOX5AP (0.43) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4692962 0.85 ALOX5AP (0.43) CCKBRALOX5APFEN1KCNK3GAA
SCHEMBL4505080 0.85 ALOX5AP (0.43) CCKBRALOX5APFEN1KCNK3GAA
SCHEMBL4510275 0.85 ALOX5AP (0.43) CCKBRALOX5APFEN1HCRTR1HCRTR2

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
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed