SCHEMBL4608433

SCHEMBL4608433

[CH2]C1Cc2cccc(-c3cc(C)ccc3C)c2O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
S1PR4 O95977 5/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAOB P27338 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
FFAR1 O14842 1/20 0.30
MAPK1 P28482 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
SCHEMBL4595476 0.86 L3MBTL1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047939 0.85 HTR2A (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4608434 0.84 PARP1 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596908 0.82 DRD2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4231846 0.81 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596814 0.81 AQP1 (0.40) ACHEMAOB
SCHEMBL4596563 0.79 HTR1A (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595349 0.79 AQP1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4711420 0.79 MAOB (0.35) ACHELMNAMAPTMAOBALDH1A1
SCHEMBL4596943 0.78 HTR7 (0.35) MAOBALDH1A1SMN1; SMN2MAPK1

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 14 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-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
JP-2007509174-A 2007-04-12 JP 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-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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP 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-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