SCHEMBL4597504

SCHEMBL4597504

CC1Cc2cc(-c3ccccc3)cc(-c3ccc(F)cc3F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
GRM2 Q14416 7/20 0.37
HTR2A P28223 1/20 0.37
MAOB P27338 4/20 0.35
HSD11B1 P28845 1/20 0.35
TDP2 O95551 1/20 0.34
ADORA1 P30542 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ADORA2A P29274 1/20 0.32
MAOA P21397 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
SCHEMBL4596424 0.88 PARP1 (0.37) PARP1GRM2MAOBMAOA
SCHEMBL4608666 0.86 PARP1 (0.40) PARP1MAOBMAOA
SCHEMBL4597503 0.85 MAOB (0.35) GRM2HTR2AMAOBHSD11B1TDP2
SCHEMBL4596409 0.85 PARP1 (0.39) PARP1GRM2MAOBMAOA
SCHEMBL4713241 0.84 PARP1 (0.49) PARP1GRM2HTR2APDE3BPDE3A
SCHEMBL4234539 0.82 AQP1 (0.51) GRM2HTR2AMAOBTDP2ADORA1
SCHEMBL4219997 0.82 AQP1 (0.53) GRM2HTR2AMAOBHSD11B1TDP2
SCHEMBL4220005 0.81 AQP1 (0.42) GRM2MAOBTDP2ADORA1ADORA2A
SCHEMBL4712018 0.81 AQP1 (0.40) PARP1GRM2HTR2APDE3BPDE3A
SCHEMBL4596869 0.80 PARP1 (0.43) PARP1GRM2HTR2AMAOBPDE3B

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