SCHEMBL4714779

SCHEMBL4714779

[CH2]C1Cc2cc(C(F)(F)F)cc(-c3cccc(Cl)c3Cl)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
THRB P10828 1/20 0.36
CNR2 P34972 2/20 0.35
AQP1 P29972 2/20 0.34
P2RX7 Q99572 3/20 0.34
RORB Q92753 2/20 0.33
RORC P51449 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
CETP P11597 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL4596889 0.90 THRB (0.39) THRBAQP1RORBRORCCETP
SCHEMBL4714782 0.86 MET (0.42) METTHRBCNR2AQP1P2RX7
SCHEMBL4767758 0.85 AQP1 (0.48) CNR2AQP1P2RX7ALOX15
SCHEMBL4713782 0.84 AQP1 (0.37) CNR2AQP1ALOX15
SCHEMBL4224493 0.83 AQP1 (0.50) METTHRBCNR2AQP1P2RX7
SCHEMBL4597042 0.81 AQP1 (0.39) THRBAQP1PDE2ACETP
SCHEMBL4711150 0.81 GPBAR1 (0.36) THRBCHRM5HTR1AHTR7GPBAR1
SCHEMBL4220487 0.81 AQP1 (0.59) METTHRBCNR2AQP1P2RX7
SCHEMBL4597087 0.81 GPBAR1 (0.34) THRBHTR1AHTR7GPBAR1
SCHEMBL4597050 0.81 HTR2A (0.36) THRBGPBAR1POLBTRPM8

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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
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 claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO claimed
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-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (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
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-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
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