SCHEMBL4022507

SCHEMBL4022507

COc1cc2c(ccn2S(=O)(=O)c2ccccc2)c(CN(C)C)c1O.COc1cc2c(ccn2S(=O)(=O)c2ccccc2)c(CN(C)C)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.49
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR1F P30939 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
HTR1E P28566 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL3617642 0.95 HTR6 (0.54) HTR6POLBL3MBTL1HTR1ADRD2
SCHEMBL3620151 0.94 HTR6 (0.55) HTR6POLBL3MBTL1HTR1ADRD2
SCHEMBL1992717 0.84 HTR6 (0.49) HTR6POLBL3MBTL1HTR1ADRD2
SCHEMBL3623694 0.83 HTR6 (0.48) HTR6POLBL3MBTL1HTR1ADRD2
SCHEMBL3619807 0.82 HTR6 (0.62) HTR6POLBL3MBTL1HTR1ADRD2
Hydrochloric Acid SCHEMBL3623637 0.81 HTR6 (0.60) HTR6POLBL3MBTL1HTR1ADRD2
SCHEMBL3620380 0.81 HTR6 (0.49) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3622018 0.78 HTR6 (0.58) HTR6HTR1ADRD2HTR1DHTR1B
Trifluoroacetic Acid SCHEMBL3619186 0.76 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3622889 0.74 HTR6 (0.57) HTR6POLBL3MBTL1HTR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed