SCHEMBL4596326

SCHEMBL4596326

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PARP1 P09874 3/20 0.36
SLC6A9 P48067 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR1A P08908 3/20 0.34
BRD4 O60885 1/20 0.34
GRM2 Q14416 2/20 0.34
HPRT1 P00492 1/20 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
SCHEMBL4595402 0.88 GRM2 (0.39) SMN1; SMN2MAOBMAOAPARP1SLC6A9
SCHEMBL5583539 0.88 HPRT1 (0.47) POLBSMN1; SMN2GPR84MAOBMAOA
SCHEMBL4608666 0.86 PARP1 (0.40) GPR84MAOBMAOAPARP1HTR1A
SCHEMBL5595946 0.86 S1PR4 (0.39) CNR1CNR2ALDH1A1SMN1; SMN2MAOB
SCHEMBL6047932 0.84 BACE1 (0.43) KDM4EALDH1A1HTTSMN1; SMN2GPR84
SCHEMBL4596319 0.84 CYP1A2 (0.41) CNR1CNR2CYP1A2KDM4EALDH1A1
SCHEMBL5583714 0.84 CNR1 (0.39) CNR1CNR2MAOBMAOAPARP1
SCHEMBL4597074 0.82 BRD4 (0.39) CNR1CNR2MAOBMAOAPARP1
SCHEMBL5583521 0.81 NPC1 (0.37) CNR1CNR2SMN1; SMN2MAP4K4MAOB
SCHEMBL4963750 0.81 PARP1 (0.48) CNR1CNR2PARP1HTR1ABRD4

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