SCHEMBL17580902

SCHEMBL17580902

CC(C)(C)OC(=O)ON1CCC2CN(c3cccc4cc(S(=O)(=O)c5ccc(F)cc5)cnc34)CC21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HTR6 P50406 4/20 0.47
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
RORC P51449 11/20 0.36
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2B P41595 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
SCHEMBL17580734 0.90 HTR2A (0.46) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580611 0.89 HTR2A (0.48) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3650493 0.88 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580908 0.86 HTR6 (0.57) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580826 0.86 HTR2A (0.52) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3651354 0.84 HTR2A (0.49) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3740556 0.82 HTR2A (0.51) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580928 0.81 HTR2A (0.50) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580842 0.81 HTR6 (0.53) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3651344 0.80 HTR2A (0.54) 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