SCHEMBL8108915

SCHEMBL8108915

Fc1ccc2c(CC3CCN(CCOc4cccc5c4OCCO5)C3)n[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.62
SLC6A4 P31645 8/20 0.60
DRD2 P14416 3/20 0.40
HTR1D P28221 5/20 0.40
HTR1B P28222 5/20 0.40
ADRB1 P08588 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
MTNR1A P48039 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 SCHEMBL9093229 0.99 HTR1A (0.61) HTR1ASLC6A4DRD2HTR1DHTR1B
SCHEMBL8109878 0.84 HTR1A (0.58) HTR1ASLC6A4DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL9094483 0.84 HTR1A (0.57) HTR1ASLC6A4DRD2HTR2AHTR2C
SCHEMBL7214578 0.76 HTR1A (1.00) HTR1ASLC6A4DRD2HTR7
SCHEMBL14359458 0.75 HTR1A (0.55) HTR1ASLC6A4HTR7MTNR1A
SCHEMBL8109895 0.73 HTR1A (0.54) HTR1ASLC6A4DRD2HTR1DHTR2A
SCHEMBL6365007 0.73 HTR1A (0.54) HTR1ASLC6A4DRD2HTR1DHTR2A
SCHEMBL9408587 0.73 ACHE (0.46)
SCHEMBL14359383 0.73 HTR1A (0.56) HTR1ASLC6A4DRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL9091527 0.72 HTR1A (0.53) HTR1ASLC6A4DRD2HTR2AHTR2C

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