SCHEMBL4595495

SCHEMBL4595495

CC1Cc2cccc(-c3c(Cl)cc(Cl)cc3Cl)c2O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
HTR1A P08908 6/20 0.44
MAOA P21397 3/20 0.41
MAOB P27338 2/20 0.41
AQP1 P29972 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
BRD4 O60885 5/20 0.37
CREBBP Q92793 5/20 0.37
HTR7 P34969 2/20 0.35

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
SCHEMBL4596981 0.91 PARP1 (0.48) PARP1HTR1AMAOAMAOBAQP1
SCHEMBL4595292 0.85 AQP1 (0.44) PARP1HTR1AMAOAMAOBAQP1
SCHEMBL4597590 0.85 HTR1A (0.46) PARP1HTR1AMAOAMAOBCNR1
SCHEMBL4712948 0.82 BRD4 (0.44) PARP1HTR1AMAOAMAOBAQP1
SCHEMBL4596982 0.82 AQP1 (0.50) PARP1HTR1AMAOAMAOBAQP1
SCHEMBL4595494 0.82 AQP1 (0.36) HTR1AAQP1HTR7
SCHEMBL4649844 0.81 PARP1 (0.48) PARP1HTR1AMAOAMAOBCNR1
SCHEMBL4596565 0.80 PARP1 (0.53) PARP1HTR1AMAOAMAOBBRD4
SCHEMBL4595480 0.78 PARP1 (0.43) PARP1HTR1AMAOAMAOBAQP1
SCHEMBL4225662 0.78 AQP1 (0.44) HTR1AAQP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed
JP-2007509174-A 2007-04-12 JP 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
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
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