SCHEMBL4775401

SCHEMBL4775401

CN(C)CCN(C)C(=O)Oc1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.55
TNFSF11 O14788 2/20 0.51
TNF P01375 3/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1F P30939 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PLK1 P53350 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4776953 0.89 HTR6 (0.63) HTR6TNFHTR1ADRD2HTR1D
SCHEMBL947109 0.82 TNFSF11 (0.74) HTR6TNFSF11TNFHTR1ADRD2
SCHEMBL3563421 0.82 HTR6 (0.76) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL949155 0.75 HTR6 (0.65) HTR6TNFSF11HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL946790 0.74 HTR6 (0.63) HTR6TNFSF11HTR1ADRD2HTR1D
SCHEMBL5330256 0.73 HTR6 (0.53) HTR6TNFSF11HTR1ADRD2HTR1D
SCHEMBL3556751 0.72 HTR6 (0.64) HTR6TNFHTR1ADRD2HTR1D
SCHEMBL948005 0.72 TNF (0.69) HTR6TNFSF11TNFHTR1ADRD2
SCHEMBL3552073 0.72 HTR6 (0.66) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3552252 0.71 HTR6 (0.67) HTR6HTR1ADRD2HTR1DHTR1B

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
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP claimed