SCHEMBL4596758

SCHEMBL4596758

Cc1ccc(-c2cc(C)cc3c2OC(C)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
BRD4 O60885 2/20 0.41
PARP1 P09874 6/20 0.38
HTR1A P08908 4/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CREBBP Q92793 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4597067 0.89 PARP1 (0.43) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL4597074 0.89 BRD4 (0.39) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL4596468 0.87 ALDH1A1 (0.42) MAOAMAOBBRD4ACHEKDM4E
SCHEMBL4596742 0.86 PARP1 (0.49) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL5583539 0.84 HPRT1 (0.47) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL4964948 0.83 BRD4 (0.39) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL4596686 0.83 MAOA (0.42) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL4596756 0.83 MAOB (0.34) MAOAMAOBACHEGPR84
SCHEMBL4596910 0.82 PARP1 (0.49) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL4596906 0.80 HTR1A (0.39) MAOABRD4PARP1HTR1ACREBBP

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 15 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
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
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 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
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
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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 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