SCHEMBL8109878

SCHEMBL8109878

Fc1ccc2c(CC3CCN(CCOc4cccc5c4OCCO5)C3)noc2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.58
SLC6A4 P31645 3/20 0.55
HTR2A P28223 12/20 0.50
DRD2 P14416 11/20 0.50
HTR7 P34969 11/20 0.50
HTR6 P50406 11/20 0.50
HTR2C P28335 1/20 0.43
ADRA1B P35368 1/20 0.43

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 SCHEMBL9094483 0.99 HTR1A (0.57) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8108915 0.84 HTR1A (0.62) HTR1ASLC6A4HTR2ADRD2HTR7
Hydrochloric Acid SCHEMBL9093229 0.84 HTR1A (0.61) HTR1ASLC6A4HTR2ADRD2HTR7
Hydrochloric Acid SCHEMBL7975006 0.82 HTR1A (0.64) HTR1ASLC6A4HTR2ADRD2HTR6
SCHEMBL14359458 0.76 HTR1A (0.55) HTR1ASLC6A4HTR7
SCHEMBL6365007 0.74 HTR1A (0.54) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8109895 0.74 HTR1A (0.54) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL7214578 0.73 HTR1A (1.00) HTR1ASLC6A4DRD2HTR7
SCHEMBL9408690 0.73 ACHE (0.57) HTR2ADRD2HTR7HTR6
SCHEMBL14359383 0.73 HTR1A (0.56) HTR1ASLC6A4HTR2ADRD2HTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669331-B1 Benzodioxane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-10-11 EP disclosed
EP-0669331-A1 Benzodioxane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-08-30 EP disclosed