SCHEMBL3621695

SCHEMBL3621695

CC1CC(c2cn(S(=O)(=O)c3ccc4oncc4c3)c3cccnc23)=CCN1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR7 P34969 3/20 0.42
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
DRD3 P35462 1/20 0.38

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 0.84 HTR6 (0.43) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3621648 0.81 HTR6 (0.39) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3621694 0.81 HTR6 (0.53) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3623951 0.79 PKM (0.41) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3625114 0.79 NR3C2 (0.44) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3624061 0.75 AKR1C3 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3617687 0.71 HTR6 (0.35) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3621753 0.68 HTR6 (0.61) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3621247 0.68 HTR6 (0.53) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL13953734 0.67 HTR6 (0.61) HTR6HTR1ADRD2HTR2AHTR7

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 4 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 claimed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 WO claimed
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