SCHEMBL4596741

SCHEMBL4596741

Cc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(C)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.48
PARP1 P09874 6/20 0.38
HTR1A P08908 5/20 0.38
MAOA P21397 4/20 0.36
MAOB P27338 3/20 0.36
BRD4 O60885 3/20 0.35
CREBBP Q92793 2/20 0.35
AKR1B1 P15121 1/20 0.32

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
SCHEMBL4596982 0.88 AQP1 (0.50) AQP1PARP1HTR1AMAOAMAOB
SCHEMBL4710394 0.86 CNR1 (0.38) AQP1PARP1HTR1AMAOAMAOB
SCHEMBL4759260 0.85 PARP1 (0.42) AQP1PARP1HTR1AMAOAMAOB
SCHEMBL4596735 0.84 AQP1 (0.47) AQP1
SCHEMBL4595617 0.84 AQP1 (0.66) AQP1PARP1HTR1AMAOAMAOB
SCHEMBL4596981 0.82 PARP1 (0.48) AQP1PARP1HTR1AMAOAMAOB
SCHEMBL4220310 0.81 AQP1 (0.56) AQP1
SCHEMBL4596906 0.81 HTR1A (0.39) PARP1HTR1AMAOABRD4CREBBP
SCHEMBL4225698 0.79 AQP1 (0.54) AQP1
SCHEMBL4225690 0.79 AQP1 (0.77) AQP1

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-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
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-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-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-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