SCHEMBL5583539

SCHEMBL5583539

Cc1ccc(-c2cc(-c3ccccc3)cc3c2OC(C)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.47
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
GPR84 Q9NQS5 1/20 0.39
BRD4 O60885 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
PARP1 P09874 3/20 0.37
NTSR1 P30989 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RCE1 Q9Y256 1/20 0.35
HTR1A P08908 3/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
NFKB1 P19838 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
SCHEMBL4596326 0.88 CNR1 (0.41) HPRT1MAOAMAOBGPR84BRD4
SCHEMBL5583521 0.88 NPC1 (0.37) HPRT1MAOAMAOBBRD4NPC1
SCHEMBL4608666 0.88 PARP1 (0.40) HPRT1MAOAMAOBGPR84BRD4
SCHEMBL6047932 0.85 BACE1 (0.43) MAOAMAOBGPR84NPC1RAB9A
SCHEMBL5583536 0.85 HPRT1 (0.46) HPRT1MAOAMAOBGPR84NPC1
SCHEMBL4596758 0.84 MAOA (0.43) MAOAMAOBGPR84BRD4NPC1
SCHEMBL6047947 0.83 MAOA (0.40) MAOAMAOBBRD4NPC1RAB9A
SCHEMBL4225448 0.82 PRKAB2 (0.46) HPRT1MAOAMAOBGPR84NPC1
SCHEMBL4596409 0.81 PARP1 (0.39) MAOAMAOBBRD4PARP1HTR1A
SCHEMBL4595402 0.81 GRM2 (0.39) MAOAMAOBNPC1RAB9APARP1

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 5 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-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