SCHEMBL6920929

SCHEMBL6920929

NC[C@@H]1CCCCN1S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.65
HTR1D P28221 3/20 0.65
HTR2B P41595 3/20 0.65
HTR1A P08908 2/20 0.65
DRD2 P14416 2/20 0.65
DRD3 P35462 2/20 0.65
HTR1B P28222 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1B P35368 1/20 0.60
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
CNR1 P21554 3/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
EPHX2 P34913 1/20 0.46
FEN1 P39748 2/20 0.46
ALOX5AP P20292 1/20 0.46

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
SCHEMBL3059602 0.91 HTR7 (0.55) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL3825266 0.85 HTR7 (0.69) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL6964528 0.85 HTR7 (0.69) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL8308503 0.83 HTR7 (0.84) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL699980 0.80 HTR7 (0.63) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL6920928 0.80 HCRTR1 (0.58) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL3825498 0.79 HTR7 (1.00) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL5132145 0.79 HTR7 (0.57) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL7967497 0.78 HTR7 (0.74) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL15917086 0.77 HTR6 (0.50) HTR7HTR1DHTR2BHTR1ADRD2

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
WO-2004041807-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-21 WO disclosed