SCHEMBL4608666

SCHEMBL4608666

CC1Cc2cc(-c3ccccc3)cc(-c3ccc(F)cc3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.40
GPR84 Q9NQS5 1/20 0.38
HMGCR P04035 3/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
BRD4 O60885 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
HPRT1 P00492 1/20 0.34
HTR1A P08908 2/20 0.34

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
SCHEMBL4596409 0.88 PARP1 (0.39) PARP1MAOAMAOBBRD4HTR1A
SCHEMBL5583539 0.88 HPRT1 (0.47) PARP1GPR84MAOAMAOBBRD4
SCHEMBL4596326 0.86 CNR1 (0.41) PARP1GPR84MAOAMAOBBRD4
SCHEMBL4597504 0.86 PARP1 (0.38) PARP1MAOAMAOB
SCHEMBL4596637 0.84 PARP1 (0.51) PARP1BRD4PTGS2HTR1A
SCHEMBL6047932 0.84 BACE1 (0.43) GPR84MAOAMAOB
SCHEMBL4608664 0.84 GPR84 (0.35) GPR84HMGCRMAOAMAOBPTGS1
SCHEMBL4596424 0.84 PARP1 (0.37) PARP1MAOAMAOBBRD4HTR1A
SCHEMBL4597067 0.82 PARP1 (0.43) PARP1HMGCRMAOAMAOBBRD4
SCHEMBL4596976 0.81 PARP1 (0.44) PARP1BRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP 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