SCHEMBL9901916

SCHEMBL9901916

Cc1ccccc1S(=O)(=O)c1cnc2ccc(N3CCN(C)CC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.51
HTR6 P50406 11/20 0.48
DRD2 P14416 2/20 0.48
HTR7 P34969 2/20 0.48
HTR2B P41595 2/20 0.48
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAD52 P43351 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42

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
SCHEMBL9903412 0.88 HTR6 (0.60) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9903634 0.88 HTR6 (0.50) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9903167 0.86 HTR6 (0.58) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9902699 0.86 HTR3A (0.48) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9903178 0.85 HTR3A (0.47) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9903357 0.83 HTR6 (0.59) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9903832 0.82 KHK (0.42) HTR6DRD2HTR7HTR2BMAPT
SCHEMBL9903853 0.80 HTR6 (0.60) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9903510 0.80 HTR6 (0.60) HTR3AHTR6DRD2HTR7HTR2B
SCHEMBL9903672 0.80 HTR6 (0.62) HTR3AHTR6DRD2HTR7HTR2B

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