SCHEMBL17580841

SCHEMBL17580841

O=C(O)N1CC2CN(c3cccc4cc(S(=O)(=O)c5ccccc5)cnc34)C2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR6 P50406 4/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR7 P34969 1/20 0.53
HCRTR1 O43613 13/20 0.39
HCRTR2 O43614 13/20 0.39
HTR2B P41595 1/20 0.37
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL3753414 0.91 HTR2A (0.53) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3649140 0.86 HTR2A (0.46) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3752021 0.84 HTR2A (0.55) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580953 0.80 HTR6 (0.59) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17581014 0.80 HTR6 (0.59) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580655 0.80 HTR2A (0.45) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL949542 0.79 HTR2A (0.52) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17581022 0.77 HTR2A (0.55) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL19327054 0.76 HTR6 (0.68) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL19327070 0.76 HTR6 (0.68) HTR2AHTR6HTR1ADRD2HTR7

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-2185555-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2016-03-16 EP claimed