SCHEMBL3621648

SCHEMBL3621648

CC1CC(c2cn(S(=O)(=O)c3cccnc3)c3cccnc23)=CCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.39
HTR1A P08908 3/20 0.38
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
HTR7 P34969 3/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
DRD3 P35462 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CHRM5 P08912 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3624153 0.82 HTR6 (0.43) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3613339 0.82 HTR6 (0.58) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3621695 0.81 HTR6 (0.42) HTR6HTR1ADRD2HTR2AHTR7
Iodide SCHEMBL3622153 0.81 HTR6 (0.57) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3624061 0.80 AKR1C3 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3623951 0.79 PKM (0.41) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3625114 0.78 NR3C2 (0.44) HTR6HTR1ADRD2HTR2AHTR7
Phosphoric Acid SCHEMBL3622110 0.78 HTR6 (0.54) HTR6HTR1ADRD2HTR2AHTR7
Phosphoric Acid SCHEMBL27788132 0.78 HTR6 (0.54) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3615737 0.77 HTR6 (0.59) HTR6

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-2184990-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 WO disclosed