SCHEMBL9903675

SCHEMBL9903675

COc1ccccc1S(=O)(=O)c1cnc2ccc(N3CCNCC3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.47
ALK Q9UM73 2/20 0.47
HTR7 P34969 4/20 0.46
HTR1A P08908 3/20 0.46
HTR2B P41595 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 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
SCHEMBL9902699 0.89 HTR3A (0.48) HTR6ALKHTR7HTR2BDRD2
SCHEMBL9903593 0.88 GHSR (0.43) HTR6ALKLMNAHSP90AA1MAPT
SCHEMBL9903634 0.87 HTR6 (0.50) HTR6HTR7HTR1AHTR2BCHRNB2
SCHEMBL4690981 0.83 HTR6 (0.61) HTR6HTR7HTR1AHTR2BCHRNB2
SCHEMBL9903601 0.82 HTR6 (0.47) HTR6HTR7HTR1AHTR2BCHRNB2
SCHEMBL3567539 0.80 HTR6 (0.70) HTR6HTR7HTR1ADRD2HTR2A
SCHEMBL9903085 0.79 HTR6 (0.57) HTR6HTR7HTR1AHTR2BCHRNB2
SCHEMBL9902743 0.79 HTR6 (0.50) HTR6HTR7HTR1ACHRNB2CHRNA4
SCHEMBL3136898 0.76 HTR6 (0.60) HTR6HTR7HTR1AHTR2BDRD2
SCHEMBL9901916 0.75 HTR3A (0.51) HTR6HTR7HTR2BDRD2HTR2A

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-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP claimed