SCHEMBL5583710

SCHEMBL5583710

[CH2]C1Cc2cc(-c3ccccc3)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AQP1 P29972 3/20 0.33
SLC6A9 P48067 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
PTPRC P08575 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
MAP4K4 O95819 1/20 0.32
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL6047945 0.84 GRIA1 (0.35) SLC6A9NPC1RAB9AHTR2AHTR2C
SCHEMBL4596422 0.84 SLC6A9 (0.33) SLC6A9NPC1RAB9APTPRCHTR2A
SCHEMBL4596319 0.84 CYP1A2 (0.41) PTGS1PTGS2SLC6A9NPC1RAB9A
SCHEMBL5583714 0.84 CNR1 (0.39) CYP2A6PTGS1PTGS2AQP1SLC6A9
SCHEMBL4595401 0.83 NPC1 (0.36) PTGS1PTGS2SLC6A9NPC1RAB9A
SCHEMBL4765139 0.82 AQP1 (0.49) AQP1HTR2AHTR2CHTR1AHTR7
SCHEMBL4596402 0.82 PLA2G7 (0.35) PTGS1PTGS2AQP1HTR2AHTR2C
SCHEMBL4220714 0.81 AQP1 (0.54) CYP2A6AQP1SLC6A9MAP4K4ADORA2A
SCHEMBL5605847 0.81 HTR1A (0.39) CYP2A6PTGS1PTGS2AQP1SLC6A9
SCHEMBL6047886 0.81 HTR7 (0.38) SLC6A9NPC1RAB9APTPRCHTR7

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