SCHEMBL4595393

SCHEMBL4595393

[CH2]C1Cc2cccc(-c3ccc(Cl)cc3C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.36
NOTUM Q6P988 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CRHR1 P34998 1/20 0.32
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31
PDE4A P27815 1/20 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
SCHEMBL4595476 0.89 L3MBTL1 (0.35) AQP1BRD4CREBBPPRKAB2PRKAG1
SCHEMBL4595291 0.86 AQP1 (0.44) AQP1BRD4CREBBPHTR1AHTR7
SCHEMBL4595395 0.85 PARP1 (0.43) AQP1NOTUMBRD4CREBBPPRKAB2
SCHEMBL4711112 0.83 HTR2A (0.36) AQP1BRD4CREBBPPRKAB2PRKAG1
SCHEMBL6047939 0.83 HTR2A (0.40) BRD4CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL4226107 0.82 AQP1 (0.41) AQP1NOTUMPRKAB2PRKAG1PRKAA2
SCHEMBL4226208 0.82 AQP1 (0.55) AQP1NOTUMPRKAB2PRKAG1PRKAA2
SCHEMBL4764341 0.82 AQP1 (0.55) AQP1NOTUML3MBTL1PDE4APDE4B
SCHEMBL4596119 0.81 HTR2A (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4971360 0.79 AQP1 (0.35) AQP1NOTUMPRKAB2PRKAG1PRKAA2

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 29 patents — showing the first 20. 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-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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS 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-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed
WO-2006116171-A1 TREATMENT OF PAIN 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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF 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