SCHEMBL4596424

SCHEMBL4596424

CC1Cc2cc(-c3ccccc3)cc(-c3ccccc3F)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.37
GRM2 Q14416 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A9 P48067 1/20 0.35
HTR1A P08908 5/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
BRD4 O60885 3/20 0.33
CREBBP Q92793 3/20 0.33
HTR7 P34969 2/20 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
SCHEMBL4597504 0.88 PARP1 (0.38) PARP1GRM2MAOAMAOB
SCHEMBL6047947 0.85 MAOA (0.40) PARP1NPC1RAB9ASMN1; SMN2SLC6A9
SCHEMBL4596422 0.84 SLC6A9 (0.33) NPC1RAB9AMEN1PKMNFKB1
SCHEMBL5583714 0.84 CNR1 (0.39) PARP1GRM2SLC6A9HTR1AMAOA
SCHEMBL4608666 0.84 PARP1 (0.40) PARP1HTR1AMAOAMAOBBRD4
SCHEMBL4709866 0.83 PARP1 (0.39) PARP1GRM2NPC1RAB9AMEN1
SCHEMBL4596409 0.83 PARP1 (0.39) PARP1GRM2HTR1AMAOAMAOB
SCHEMBL4596855 0.82 HTR2A (0.43) PARP1GRM2HTR1ABRD4CREBBP
SCHEMBL4597166 0.82 GRM2 (0.40) PARP1GRM2NPC1RAB9AHTR1A
SCHEMBL6047888 0.82 SMN1; SMN2 (0.40) GRM2NPC1RAB9ASMN1; SMN2L3MBTL1

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 7 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
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 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