SCHEMBL5583536

SCHEMBL5583536

[CH2]C1Cc2cc(-c3ccccc3)cc(-c3ccc(C)cc3)c2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.46
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
NTSR1 P30989 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RCE1 Q9Y256 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
MAOB P27338 6/20 0.33
MAOA P21397 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 1/20 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
SCHEMBL5583519 0.88 CNR2 (0.36) HPRT1NPC1RAB9AKMT2AMAOB
SCHEMBL4596319 0.86 CYP1A2 (0.41) NPC1RAB9AGPR84EDNRBEDNRA
SCHEMBL4608664 0.86 GPR84 (0.35) GPR84MAOBMAOAHRH3PTGS1
SCHEMBL6047929 0.86 BACE1 (0.42) NPC1RAB9AGPR84MEN1KMT2A
SCHEMBL5583539 0.85 HPRT1 (0.47) HPRT1NPC1RAB9ANTSR1GPR84
SCHEMBL4596756 0.84 MAOB (0.34) GPR84MEN1KMT2AMAOBMAOA
SCHEMBL6047945 0.84 GRIA1 (0.35) HPRT1NPC1RAB9AEDNRBEDNRA
SCHEMBL4596739 0.81 AQP1 (0.38) NPC1RAB9AMAOBMAOAPOLB
SCHEMBL4225448 0.81 PRKAB2 (0.46) HPRT1NPC1RAB9ANTSR1GPR84
SCHEMBL4595401 0.80 NPC1 (0.36) NPC1RAB9AMEN1KMT2AMAOB

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