SCHEMBL4595332

SCHEMBL4595332

[CH2]C1Cc2cc(Cl)cc(-c3c(C)cccc3C)c2O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.40
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
EZH2 Q15910 1/20 0.35
USP7 Q93009 4/20 0.34
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.31
HTR7 P34969 1/20 0.31
SSTR2 P30874 1/20 0.30
SSTR4 P31391 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 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
SCHEMBL4596991 0.88 HTR2A (0.37) AQP1HTR2AHTR2CEZH2USP7
SCHEMBL4759254 0.87 AQP1 (0.36) AQP1BRD4CREBBPHTR7PRKAB2
SCHEMBL4596978 0.85 AQP1 (0.47) AQP1HTR2AHTR2CEZH2USP7
SCHEMBL4595443 0.84 AQP1 (0.50) AQP1BRD4CREBBPHTR7PRKAB2
SCHEMBL4595334 0.84 PARP1 (0.41) AQP1EZH2BRD4CREBBP
SCHEMBL4596870 0.82 DRD1 (0.37) AQP1HTR2APRKAB2PRKAG1PRKAA2
SCHEMBL4771326 0.82 AQP1 (0.36) AQP1BRD4HTR7PRKAB2PRKAG1
SCHEMBL4596563 0.82 HTR1A (0.38) HTR2AHTR2CBRD4CREBBPHTR7
SCHEMBL4221998 0.82 AQP1 (0.52) AQP1HTR2AHTR2CEZH2SIRT2
SCHEMBL4225586 0.80 AQP1 (0.46) AQP1HTR2AHTR2CEZH2SIRT2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO 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-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-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-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
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