SCHEMBL17580979

SCHEMBL17580979

O=C(O)N1CCC2CN(c3cccc4cc(S(=O)(=O)c5cccc(C(F)(F)F)c5)cnc34)CC21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
HTR2A P28223 3/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CTSS P25774 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PIK3CA P42336 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NAMPT P43490 3/20 0.36

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
SCHEMBL3757257 0.90 HTR6 (0.58) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3650304 0.89 HTR2A (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580928 0.86 HTR2A (0.50) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580995 0.86 HTR2A (0.49) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580734 0.84 HTR2A (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327046 0.83 HTR6 (0.52) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327062 0.82 HTR6 (0.53) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327083 0.82 NOTUM (0.53) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327032 0.82 NOTUM (0.53) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327040 0.82 NOTUM (0.53) HTR6HTR2AHTR1ADRD2HTR7

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