SCHEMBL17580928

SCHEMBL17580928

O=C(O)N1CCC2CN(c3cccc4cc(S(=O)(=O)c5ccc(F)cc5)cnc34)CC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.50
HTR6 P50406 5/20 0.50
HTR1A P08908 2/20 0.50
DRD2 P14416 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
ADK P55263 1/20 0.33
LMNA P02545 1/20 0.33
CFTR P13569 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
SCHEMBL3757257 0.93 HTR6 (0.58) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3650493 0.88 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580963 0.87 HTR2A (0.51) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580979 0.86 HTR6 (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17581014 0.84 HTR6 (0.59) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580902 0.81 HTR2A (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3651344 0.81 HTR2A (0.54) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3646817 0.80 HTR6 (0.58) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3646142 0.80 HTR6 (0.53) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3643522 0.80 HTR6 (0.57) 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