SCHEMBL2365378

SCHEMBL2365378

COc1ccc(NS(=O)(=O)c2ccccc2Br)cc1[AsH]C1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.48
HTR6 P50406 8/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45
HTR1F P30939 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
HTR4 Q13639 1/20 0.45
BRD4 O60885 2/20 0.43

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
SCHEMBL6117937 0.82 CYP3A4 (0.50) UTS2RHTR6CYP1A2CYP3A4HTR1A
SCHEMBL2205372 0.81 GHSR (0.52) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL2171526 0.80 UTS2R (0.47) UTS2RHTR6CYP1A2CYP3A4HTR1A
SCHEMBL6977609 0.79 HTR6 (0.72) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL6118762 0.73 CYP3A4 (0.50) UTS2RHTR6CYP3A4HTR1AHTR2A
SCHEMBL2169541 0.72 CYP3A4 (0.52) UTS2RHTR6CYP3A4HTR1AHTR7
SCHEMBL6118587 0.71 CYP3A4 (0.51) UTS2RHTR6CYP3A4HTR1ACYP2D6
SCHEMBL5210116 0.70 HTR1F (0.53) HTR6HTR1FBRD4TRIM24TP53
SCHEMBL2171141 0.69 HTR6 (0.49) UTS2RHTR6BRD4CREBBPTP53
SCHEMBL28750145 0.68 PGR (0.56) TP53ALDH1A1LMNAKDM4EMEN1

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
EP-2346847-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2011-07-27 EP disclosed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO disclosed