SCHEMBL9903233

SCHEMBL9903233

CC(C)N1CCN(c2ccc3ncc(S(=O)(=O)c4ccccc4)cc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR6 P50406 7/20 0.45
HTR7 P34969 3/20 0.45
HTR2A P28223 3/20 0.45
DRD2 P14416 2/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HTR1A P08908 1/20 0.45
LMNA P02545 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MET P08581 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KHK P50053 1/20 0.42
PIK3CA P42336 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9903167 0.87 HTR6 (0.58) HTR6HTR7HTR2ADRD2HTR2C
SCHEMBL9903789 0.86 HTR7 (0.45) CHRM2CHRM1HTR6HTR7HTR2A
SCHEMBL9903406 0.84 THRB (0.54) HTR6HTR7DRD2HTR2CHTR2B
SCHEMBL4690981 0.83 HTR6 (0.61) HTR6HTR7HTR2ADRD2HTR2B
SCHEMBL9903393 0.82 HTR6 (0.45) HTR6HTR7HTR2ADRD2HTR2C
SCHEMBL9902532 0.80 ADRA2A (0.44) HTR6HTR7HTR2ADRD2HTR2C
SCHEMBL9903251 0.80 ADRA2A (0.44) HTR6HTR7HTR2ADRD2HTR2C
SCHEMBL3558256 0.79 HTR6 (0.72) CHRM2CHRM1HTR6HTR7HTR2A
SCHEMBL9903357 0.77 HTR6 (0.59) HTR6HTR7HTR2ADRD2HTR2C
SCHEMBL9903550 0.77 HTR6 (0.47) HTR6HTR7HTR2ADRD2HTR2C

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