SCHEMBL5846334

SCHEMBL5846334

COc1cccc2c1OC(CN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)CO2.COc1cccc2c1O[C@H](Cc1cc(C)ccc1S(=O)(=O)O)CO2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.53
SLC6A4 P31645 7/20 0.49
DRD2 P14416 5/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 3/20 0.40
HTR6 P50406 3/20 0.40
TDO2 P48775 1/20 0.40
ADRA1D P25100 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL7215975 0.95 HTR1A (0.60) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL5845217 0.88 HTR1A (0.66) HTR1ASLC6A4DRD2HTR2A
SCHEMBL7218455 0.88 HTR1A (0.48) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7004959 0.86 HTR1A (0.54) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL5843574 0.83 HTR1A (0.75) HTR1ASLC6A4DRD2
SCHEMBL5845602 0.82 HTR1A (0.52) HTR1ASLC6A4DRD2HTR2A
SCHEMBL7034985 0.81 HTR1A (0.53) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6411310 0.80 HTR1A (0.45) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7030051 0.80 HTR1A (0.61) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL5844626 0.80 HTR1A (0.67) HTR1ASLC6A4DRD2HTR2A

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
US-7041683-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1, 4-benzodiozan WYETH (US) 2006-05-09 US disclosed
US-6559169-B2 For therapy of depression, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder attention deficit disorder,obsessive compulsive disorder, obesity, eating disorders, sexual dysfunction WYETH 2003-05-06 US disclosed