SCHEMBL4597090

SCHEMBL4597090

CC1Cc2cc(C(F)(F)F)cc(-c3ccccc3F)c2O1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.36
GPBAR1 Q8TDU6 4/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HTR1A P08908 6/20 0.35
HTR7 P34969 3/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
THRB P10828 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL4711153 0.90 GPBAR1 (0.38) PARP1GPBAR1PDE3BPDE3AHTR1A
SCHEMBL4596606 0.87 MAOA (0.39) PARP1GPBAR1HTR1AMAOAMAOB
SCHEMBL4597053 0.87 GPBAR1 (0.36) PARP1GPBAR1HTR1AMAOAMAOB
SCHEMBL4712612 0.86 GRM2 (0.39) PARP1GPBAR1PDE3BPDE3AGRM2
SCHEMBL4596891 0.86 THRB (0.39) GPBAR1HTR1AHTR7MAOAMAOB
SCHEMBL4759415 0.86 PARP1 (0.39) PARP1GPBAR1PDE3BPDE3AMAOA
SCHEMBL4597087 0.85 GPBAR1 (0.34) GPBAR1PDE3BPDE3AHTR1AHTR7
SCHEMBL4597121 0.84 GPBAR1 (0.39) GPBAR1PDE3BPDE3A
SCHEMBL4709866 0.82 PARP1 (0.39) PARP1HTR1AHTR7GRM2
SCHEMBL4710012 0.82 GPBAR1 (0.38) PARP1GPBAR1HTR1AHTR7MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO disclosed
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed