SCHEMBL7148718

SCHEMBL7148718

Cc1ccc(S(=O)(=O)O)c(C[C@@H]2COc3ccc4nc(C)oc4c3O2)c1.Cc1nc2ccc3c(c2o1)OC(CN1CC=C(c2c[nH]c4ccc(Cl)cc24)CC1)CO3

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.52
SLC6A4 P31645 15/20 0.52
DRD2 P14416 18/20 0.42
HTR7 P34969 18/20 0.42
HTR6 P50406 18/20 0.42
HTR2A P28223 4/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 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
SCHEMBL7034985 0.94 HTR1A (0.53) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL7030051 0.93 HTR1A (0.61) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL7032693 0.91 HTR1A (0.51) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL7004959 0.90 HTR1A (0.54) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL6844238 0.89 HTR1A (0.64) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL7034836 0.87 HTR1A (0.49) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL6848226 0.82 HTR1A (0.64) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL6847481 0.80 HTR1A (0.78) HTR1ASLC6A4DRD2HTR6HTR2A
SCHEMBL6411310 0.80 HTR1A (0.45) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL6843626 0.79 HTR1A (0.61) HTR1ASLC6A4DRD2HTR6HTR2A

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