SCHEMBL17580997

SCHEMBL17580997

CC(C)(C)OC(=O)ON1CC2CN(c3cccc4cc(S(=O)(=O)c5cccc(OC(F)(F)F)c5)cnc34)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
HTR2A P28223 3/20 0.46
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
NAMPT P43490 10/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RORC P51449 1/20 0.35
AKR1C3 P42330 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL17580664 0.95 HTR6 (0.45) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580797 0.90 HTR2A (0.48) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3750029 0.89 HTR6 (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3644576 0.86 HTR6 (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580937 0.85 HTR2A (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580776 0.84 HTR2A (0.44) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580842 0.83 HTR6 (0.53) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327016 0.83 HTR6 (0.51) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3645947 0.82 HTR6 (0.52) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL17580611 0.81 HTR2A (0.48) 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