SCHEMBL4750461

SCHEMBL4750461

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.63
EPHX2 P34913 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL4787877 0.90 CCKBR (0.74) CCKBR
SCHEMBL14041933 0.89 CCKBR (0.77) CCKBR
SCHEMBL4747136 0.87 CCKBR (0.80) CCKBR
SCHEMBL13146539 0.83 CCKBR (0.63) CCKBREPHX2KDM4EMAPT
SCHEMBL13146627 0.82 CCKBR (0.54) CCKBREPHX2KDM4EKMT2AMAPT
SCHEMBL3097887 0.80 CCKBR (0.59) CCKBRKDM4EMAPT
SCHEMBL3745887 0.79 GRIK1 (0.56) CCKBR
SCHEMBL15227852 0.78 CCKBR (0.57) CCKBR
SCHEMBL1386421 0.77 CCKBR (1.00) CCKBR
SCHEMBL13146586 0.77 CCKBR (0.68) CCKBREPHX2KDM4E

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