SCHEMBL7004959

SCHEMBL7004959

Cc1ccc(S(=O)(=O)O)c(C[C@@H]2COc3ccc4nc(C)oc4c3O2)c1.Cc1nc2ccc3c(c2o1)OC(CN1CC=C(c2c[nH]c4cc(F)ccc24)CC1)CO3

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.54
SLC6A4 P31645 4/20 0.54
DRD2 P14416 4/20 0.48
HTR2A P28223 2/20 0.48
TDO2 P48775 1/20 0.38
ADRA1D P25100 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 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
SCHEMBL7034985 0.95 HTR1A (0.53) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7030051 0.93 HTR1A (0.61) HTR1ASLC6A4DRD2HTR2ATDO2
SCHEMBL7148718 0.90 HTR1A (0.52) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7034836 0.90 HTR1A (0.49) HTR1ASLC6A4DRD2HTR2AHTR1D
SCHEMBL6844182 0.89 HTR1A (0.66) HTR1ASLC6A4DRD2HTR2ATDO2
SCHEMBL7032693 0.89 HTR1A (0.51) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL5846334 0.86 HTR1A (0.53) HTR1ASLC6A4DRD2HTR2ATDO2
SCHEMBL6848226 0.84 HTR1A (0.64) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL6411310 0.82 HTR1A (0.45) HTR1ASLC6A4DRD2HTR2AHTR7
SCHEMBL7215975 0.81 HTR1A (0.60) HTR1ASLC6A4DRD2HTR7HTR6

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-1392700-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALENE WYETH CORP (US) 2004-09-29 EP disclosed
US-6617334-B2 Inhibiting the reuptake of serotonin in a subject suffering from postraumatic stress, ADD, premenstrual dysphoria, obesity, eating disorder, vasomotor flushing, cocaine and alcohol addiction, and sexual dysfunction WYETH 2003-09-09 US disclosed
US-6613913-B2 Intermediate for antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta [a]naphthalene WYETH 2003-09-02 US disclosed
US-6525075-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-02-25 US disclosed