SCHEMBL2171331

SCHEMBL2171331

CN(c1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.48
HTR6 P50406 4/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.42
TP53 P04637 1/20 0.42
PLA2G7 Q13093 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 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
SCHEMBL2170564 0.86 HSD17B3 (0.48) FFAR4HTR6SMN1; SMN2MAPTTP53
SCHEMBL2170768 0.85 ESR1 (0.45) FFAR4HTR6SMN1; SMN2MAPTTP53
SCHEMBL2170359 0.84 MAPT (0.48) FFAR4HTR6MAPTLMNA
SCHEMBL2170067 0.84 CCNT1 (0.50) HTR6SMN1; SMN2MAPTLMNA
SCHEMBL2171609 0.83 HTR6 (0.46) HTR6DRD2DRD3KCNH2SMN1; SMN2
Hydrochloric Acid SCHEMBL2169494 0.83 CCNT1 (0.49) HTR6SMN1; SMN2MAPTLMNA
SCHEMBL2236877 0.81 HTR6 (0.40) FFAR4HTR6DRD2DRD3KCNH2
SCHEMBL2170559 0.77 SLC22A12 (0.47) HTR6MAPTLMNA
SCHEMBL2171757 0.77 ESR1 (0.47) FFAR4SMN1; SMN2MAPTHDAC1HDAC4
SCHEMBL26536689 0.76 FFAR4 (0.63) FFAR4DRD2DRD3KCNH2SMN1; SMN2

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 4 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 claimed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO claimed
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