SCHEMBL4747556

SCHEMBL4747556

C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1c(F)cccc1F)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.48
CCKAR P32238 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
POLB P06746 1/20 0.42
KCNA5 P22460 1/20 0.41
CNR1 P21554 2/20 0.41
CCR2 P41597 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4749848 1.00 CCKBR (0.48) CCKBRCCKARL3MBTL1SMN1; SMN2PTGER4
SCHEMBL4749806 0.86 CCKBR (0.50) CCKBRCCKAR
SCHEMBL4749832 0.84 MEN1 (0.47) CCKBRCCKARPOLBCCR2
SCHEMBL4750489 0.82 CCR2 (0.43) CCKBRCCKARPTGER4PTGER2KCNA5
SCHEMBL3744724 0.81 CCKBR (0.55) CCKBRCCKARSMN1; SMN2ALDH1A1
SCHEMBL4749826 0.78 CCKBR (0.52) CCKBRCCKARL3MBTL1POLB
SCHEMBL3752702 0.78 CCKAR (0.56) CCKBRCCKARPOLB
SCHEMBL3901303 0.78 CCKBR (0.74) CCKBRCCKAR
SCHEMBL4747134 0.78 CCR2 (0.57) CCKBRCCKARPTGER4PTGER2KCNA5
SCHEMBL3751356 0.76 CCKBR (0.54) CCKBRCCKARHPGD

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