SCHEMBL2448448

SCHEMBL2448448

O=S(=O)(c1cccc(N2CCCC2)c1)c1cnc2ccc(C3CCNCC3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.50
HTR7 P34969 3/20 0.45
HTR2A P28223 3/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIK3CA P42336 1/20 0.37
HTR2B P41595 3/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL2450284 0.86 HTR6 (0.47) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL2450686 0.83 HTR6 (0.40) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL952720 0.82 HTR6 (0.55) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL2446379 0.80 HTR2C (0.52) HTR6
SCHEMBL2450688 0.79 HTR6 (0.45) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL4690981 0.77 HTR6 (0.61) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL3136898 0.77 HTR6 (0.60) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL2448414 0.74 HTR6 (0.44) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL17580792 0.74 HTR6 (0.42) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL9902743 0.71 HTR6 (0.50) HTR6HTR7HTR2AHTR1ADRD2

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-2139880-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-09-14 EP claimed