SCHEMBL17580908

SCHEMBL17580908

CC(C)(C)OC(=O)ON1C[C@@H]2CN(c3cccc4cc(S(=O)(=O)c5cccc(F)c5)cnc34)CC21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.57
HTR2A P28223 4/20 0.57
HTR1A P08908 2/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
CHRM1 P11229 2/20 0.35
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ALK Q9UM73 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31

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
SCHEMBL17580826 0.92 HTR2A (0.52) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3649776 0.87 HTR2A (0.59) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3649774 0.87 HTR2A (0.59) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580902 0.86 HTR2A (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580734 0.85 HTR2A (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580797 0.81 HTR2A (0.48) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3204503 0.79 HTR2A (0.71) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580997 0.79 HTR6 (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580611 0.79 HTR2A (0.48) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3643200 0.79 HTR2A (0.54) 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