SCHEMBL13359013

SCHEMBL13359013

O=S(=O)(c1cccc(F)c1)c1cnc2c(N3CC[C@H]4CNC[C@H]43)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.59
HTR6 P50406 10/20 0.59
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2C P28335 7/20 0.49
HTR2B P41595 7/20 0.49
MAP4K1 Q92918 1/20 0.39
FFAR2 O15552 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 SCHEMBL3651434 0.99 HTR6 (0.58) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3643427 0.91 HTR2A (0.61) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580640 0.85 HTR6 (0.64) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3643005 0.84 HTR6 (0.63) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13359008 0.84 HTR6 (0.67) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3647127 0.83 HTR6 (0.66) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL17580806 0.83 HTR2A (0.56) HTR2AHTR6HTR2CHTR2BMAP4K1
SCHEMBL3752021 0.82 HTR2A (0.55) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL13359012 0.80 HTR6 (0.61) HTR2AHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3651056 0.79 HTR6 (0.60) 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 3 patents. 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
US-8440694-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-05-14 US claimed
US-8293913-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2012-10-23 US claimed