SCHEMBL13354548

SCHEMBL13354548

CC(F)(F)c1ccccc1S(=O)(=O)n1cnc2c(N3CCNCC3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.48
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR7 P34969 2/20 0.43
NCF1 P14598 1/20 0.43
HTR2A P28223 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
SCHEMBL1247193 0.93 HTR6 (0.52) HTR6HTR1ADRD2HTR7NCF1
SCHEMBL1247204 0.85 HTR6 (0.60) HTR6HTR1ADRD2HTR7
SCHEMBL1250043 0.85 HTR6 (0.54) HTR6HTR1ADRD2HTR7
SCHEMBL1249941 0.84 HTR6 (0.46) HTR6HTR1ADRD2HTR7HTR2A
SCHEMBL1248616 0.83 HTR6 (0.66) HTR6HTR1ADRD2HTR7
SCHEMBL1250176 0.82 HTR6 (0.50) HTR6HTR1ADRD2HTR7
SCHEMBL1249789 0.82 HTR6 (0.49) HTR6HTR1ADRD2HTR7
SCHEMBL1249743 0.82 HTR6 (0.52) HTR6HTR1ADRD2HTR7
SCHEMBL1248579 0.82 HTR6 (0.53) HTR6HTR1ADRD2HTR7NCF1
SCHEMBL1249597 0.82 HTR6 (0.52) HTR6HTR1ADRD2HTR7

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-2010056644-A1 1- (ARYLSULFONYL) -4- (PI PERAZIN-I -YL) -IH-BENZ IMIDAZOLES AS δ-HYDROXYTRYPTAMINE- 6 LIGANDS WYETH LLC (US) 2010-05-20 WO disclosed