SCHEMBL4750489

SCHEMBL4750489

C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1c(F)cccc1F)c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.43
KCNA5 P22460 1/20 0.42
CCKBR P32239 10/20 0.39
CCKAR P32238 8/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 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
SCHEMBL4749832 0.90 MEN1 (0.47) CCR2CCKBRCCKARTDP1
SCHEMBL4749826 0.88 CCKBR (0.52) CCKBRCCKAR
SCHEMBL4749806 0.84 CCKBR (0.50) CCKBRCCKARTDP1
SCHEMBL1886229 0.82 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1886233 0.82 CCKBR (0.61) CCKBRCCKAR
SCHEMBL4749848 0.82 CCKBR (0.48) CCR2KCNA5CCKBRCCKARPTGER4
SCHEMBL4747556 0.82 CCKBR (0.48) CCR2KCNA5CCKBRCCKARPTGER4
SCHEMBL3900180 0.82 CCKBR (0.63) CCKBRCCKAR
SCHEMBL13792674 0.82 CCKBR (0.63) CCKBRCCKAR
SCHEMBL3741167 0.78 CCKAR (0.50) CCR2CCKBRCCKAR

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