SCHEMBL2447533

SCHEMBL2447533

O=S(=O)(c1ccccc1)c1cnc2c(C3CNC3)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.58
HTR2A P28223 4/20 0.58
HTR1A P08908 1/20 0.58
DRD2 P14416 1/20 0.58
HTR7 P34969 1/20 0.58
HTR2B P41595 2/20 0.53
FFAR2 O15552 2/20 0.38
SLC40A1 Q9NP59 1/20 0.38
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HTR2C P28335 1/20 0.35
NAMPT P43490 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 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
Hydrochloric Acid SCHEMBL949561 0.99 HTR6 (0.57) HTR6HTR2AHTR1ADRD2HTR7
Tert-Butyl Formate SCHEMBL27774718 0.89 HTR6 (0.48) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2450282 0.88 HTR6 (0.61) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL951642 0.87 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4688092 0.83 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL949542 0.81 HTR2A (0.52) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL949399 0.79 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL950399 0.78 HTR6 (0.51) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3651450 0.78 HTR6 (0.71) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL949296 0.77 HTR6 (0.50) 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-2139880-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-09-14 EP claimed