SCHEMBL8556814

SCHEMBL8556814

COc1cccc2c1CC1(CCCCN1)CO2

nearest known ligand 0.93

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.45
HTR1B P28222 4/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 4/20 0.42
DRD1 P21728 1/20 0.39
ADRA2A P08913 1/20 0.38

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
SCHEMBL8554768 0.96 HTR1A (0.45) HTR1AHTR1BDRD2HTR2ADRD1
Hydrochloric Acid SCHEMBL7824632 0.75 ADRA2A (0.58) DRD2DRD1ADRA2A
SCHEMBL8594984 0.74 ALDH1A1 (0.39) HTR1AHTR1BDRD2HTR2ADRD1
SCHEMBL9266960 0.73 HTR1A (0.43) HTR1AHTR1BDRD2HTR2ADRD1
SCHEMBL8596584 0.69 ALDH1A1 (0.36)
SCHEMBL9274148 0.67 HTR1A (0.73) HTR1AHTR1BDRD2HTR2A
SCHEMBL9268702 0.67 HTR1A (0.42) HTR1AHTR1BDRD2HTR2ADRD1
SCHEMBL9270228 0.65 HTR1A (0.63) HTR1AHTR1BDRD2HTR2A
SCHEMBL9268190 0.65 HTR1A (0.56) HTR1AHTR1BDRD2HTR2A
SCHEMBL8557182 0.65 HTR1A (0.74) HTR1AHTR1BDRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564358-B1 3-aminochromane spiro derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-11-04 EP claimed
US-5420150-A Antidepressants and treatment of anxiety GUILLAUMET GERALD (FR) 1995-05-30 US disclosed
US-5397783-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1995-03-14 US disclosed
US-5376661-A Psychological disorders ADIR ET COMPAGNIE (FR) 1994-12-27 US disclosed