SCHEMBL4802468

SCHEMBL4802468

CC(C)c1cccc2c1c(S(=O)(=O)NC1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.46
HTR7 P34969 8/20 0.46
HTR6 P50406 15/20 0.44
DRD2 P14416 5/20 0.42
HTR2A P28223 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4784223 0.90 HTR1A (0.42) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4784467 0.89 HTR6 (0.42) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4784470 0.89 HTR6 (0.42) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4784203 0.88 HTR6 (0.43) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4782045 0.88 HTR6 (0.45) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL14207899 0.88 HTR6 (0.43) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4783875 0.88 HTR6 (0.56) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4781961 0.87 HTR6 (0.42) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4782531 0.86 SFRP1 (0.53) HTR1AHTR7
SCHEMBL14208234 0.85 HTR6 (0.49) HTR6

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
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed