SCHEMBL4596891

SCHEMBL4596891

CC1Cc2cc(C(F)(F)F)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
CETP P11597 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPBAR1 Q8TDU6 7/20 0.38
TACR1 P25103 1/20 0.37
HSD11B1 P28845 1/20 0.35
AQP1 P29972 3/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
EPAS1 Q99814 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
SCHEMBL4714782 0.90 MET (0.42) THRBCNR1CNR2AQP1HTR1A
SCHEMBL4597043 0.86 AQP1 (0.38) THRBCETPCNR1CNR2AQP1
SCHEMBL4596606 0.86 MAOA (0.39) GPBAR1TACR1HTR1AMAOAMAOB
SCHEMBL4597053 0.86 GPBAR1 (0.36) THRBGPBAR1HSD11B1HTR1AMAOA
SCHEMBL4596889 0.86 THRB (0.39) THRBCETPGPBAR1TACR1HSD11B1
SCHEMBL4597090 0.86 PARP1 (0.36) THRBGPBAR1HTR1AHTR7MAOA
SCHEMBL4765146 0.83 AQP1 (0.50) CNR1CNR2AQP1HTR1AHTR7
SCHEMBL4597121 0.82 GPBAR1 (0.39) CETPGPBAR1
SCHEMBL4222542 0.81 AQP1 (0.55) THRBCETPGPBAR1TACR1AQP1
SCHEMBL4710394 0.81 CNR1 (0.38) CNR1CNR2AQP1HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed
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
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-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION 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