SCHEMBL4597185

SCHEMBL4597185

CC1Cc2cc(C(F)(F)F)cc(-c3ccc(F)c(F)c3)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PARP1 P09874 6/20 0.36
GRM2 Q14416 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
BRD4 O60885 1/20 0.33
SLC6A9 P48067 1/20 0.33
CREBBP Q92793 1/20 0.33
TRPA1 O75762 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR1A P08908 3/20 0.31

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
SCHEMBL4596127 0.89 GRM2 (0.38) MAOAMAOBPARP1GRM2BRD4
SCHEMBL4597027 0.87 PARP1 (0.40) MAOAMAOBPARP1GRM2BRD4
SCHEMBL4595688 0.87 MAOA (0.46) MAOAMAOBPARP1GRM2BRD4
SCHEMBL4597183 0.86 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596885 0.86 MAOA (0.39) MAOAMAOBPARP1BRD4PTGS1
SCHEMBL4596686 0.84 MAOA (0.42) MAOAMAOBPARP1BRD4PDE3B
SCHEMBL4597052 0.84 HTR1A (0.39) MAOAMAOBPARP1GRM2BRD4
SCHEMBL4760717 0.83 HTR1A (0.44) MAOAMAOBBRD4HTR1A
SCHEMBL5583518 0.83 PARP1 (0.38) PARP1GRM2PRKAB2PRKAG1PRKAA2
SCHEMBL4595448 0.82 HTR1A (0.39) MAOAMAOBPARP1GRM2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP claimed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP disclosed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF 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-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION 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