SCHEMBL9902830

SCHEMBL9902830

C[C@H]1CN(c2ccc3ncc(S(=O)(=O)c4cccc(F)c4)cc3c2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.48
HTR2A P28223 4/20 0.48
GRM5 P41594 1/20 0.44
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
ALK Q9UM73 1/20 0.39
HSD11B1 P28845 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
KHK P50053 1/20 0.37
GHSR Q92847 2/20 0.37
FFAR2 O15552 1/20 0.37

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
SCHEMBL9903836 0.89 HTR6 (0.42) HTR6HTR2AGRM5HTR1ADRD2
SCHEMBL9903819 0.89 HTR6 (0.45) HTR6HTR2AGRM5HTR1ADRD2
SCHEMBL9903397 0.88 HTR6 (0.41) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3136898 0.86 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL9903925 0.85 HTR6 (0.43) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL9903063 0.84 HTR6 (0.43) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL9903823 0.83 GRM5 (0.43) HTR6HTR2AGRM5HTR1ADRD2
SCHEMBL9902745 0.82 HTR6 (0.66) HTR6HTR2AGRM5DRD2HTR7
SCHEMBL9903832 0.82 KHK (0.42) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3561220 0.82 HTR6 (0.69) HTR6HTR2AGRM5HTR1ADRD2

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