SCHEMBL9903167

SCHEMBL9903167

CN1CCN(c2ccc3ncc(S(=O)(=O)c4ccccc4)cc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.58
DRD2 P14416 4/20 0.58
HTR7 P34969 2/20 0.58
HTR2B P41595 2/20 0.58
HTR2C P28335 1/20 0.58
HTR3A P46098 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR2A P28223 2/20 0.49
HTR1A P08908 1/20 0.49
DRD3 P35462 2/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL9903357 0.89 HTR6 (0.59) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL9903510 0.88 HTR6 (0.60) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL9903853 0.88 HTR6 (0.60) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL9902745 0.88 HTR6 (0.66) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL9903672 0.88 HTR6 (0.62) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL9903233 0.87 CHRM2 (0.48) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL9903406 0.87 THRB (0.54) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL9901916 0.86 HTR3A (0.51) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL4690981 0.86 HTR6 (0.61) HTR6DRD2HTR7HTR2BHTR3A
SCHEMBL9903412 0.85 HTR6 (0.60) HTR6DRD2HTR7HTR2BHTR2C

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