SCHEMBL17580640

SCHEMBL17580640

O=S(=O)(c1cccc(F)c1)c1cnc2c(N3CCC4CNCC4C3)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.64
HTR2A P28223 6/20 0.64
HTR1A P08908 2/20 0.55
DRD2 P14416 1/20 0.55
HTR7 P34969 1/20 0.55
FFAR2 O15552 7/20 0.39
GRM5 P41594 1/20 0.38
ALK Q9UM73 1/20 0.37
HTR2B P41595 1/20 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
Hydrochloric Acid SCHEMBL3643005 0.99 HTR6 (0.63) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL13359008 0.93 HTR6 (0.67) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3647127 0.92 HTR6 (0.66) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL13359012 0.89 HTR6 (0.61) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3651056 0.88 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL13359013 0.85 HTR2A (0.59) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327116 0.85 HTR6 (0.68) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327110 0.85 HTR6 (0.68) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL19327111 0.85 HTR6 (0.68) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3646817 0.84 HTR6 (0.58) 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