SCHEMBL5605843

SCHEMBL5605843

CC(N)C1Cc2cc(-c3ccccc3)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP2A6 P11509 1/20 0.34
AQP1 P29972 3/20 0.32
SLC6A9 P48067 1/20 0.32
MAP4K4 O95819 1/20 0.31
PLA2G7 Q13093 1/20 0.31
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
LTB4R Q15722 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL5605602 0.85 HTR1A (0.35) SLC6A9MAP4K4HTR1AHTR7ADORA2A
SCHEMBL5605793 0.82 MAPK14 (0.41)
SCHEMBL5583714 0.81 CNR1 (0.39) CNR1CNR2CYP2A6AQP1SLC6A9
SCHEMBL5583710 0.79 CYP2A6 (0.39) CYP2A6AQP1SLC6A9MAP4K4HTR1A
SCHEMBL5605847 0.78 HTR1A (0.39) CNR1CNR2CYP2A6AQP1SLC6A9
SCHEMBL4220714 0.78 AQP1 (0.54) CYP2A6AQP1SLC6A9MAP4K4PLA2G7
SCHEMBL4230569 0.76 AQP1 (0.44) CYP2A6AQP1SLC6A9MAP4K4PLA2G7
SCHEMBL4230563 0.75 AQP1 (0.57) CYP2A6AQP1SLC6A9
SCHEMBL5605407 0.72 AQP1 (0.47) AQP1
SCHEMBL5606019 0.72 AQP1 (0.37) AQP1

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 3 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