SCHEMBL4595596

SCHEMBL4595596

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.33
PLA2G7 Q13093 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
PTPRC P08575 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
SCHEMBL4595599 0.86 CNR1 (0.36) AQP1PLA2G7HTR1AHTR7CNR1
SCHEMBL4595197 0.86 LMNA (0.38) HTR7HTR2AHTR2C
SCHEMBL4596402 0.83 PLA2G7 (0.35) AQP1PLA2G7HTR1AHTR7CNR1
SCHEMBL4230237 0.81 AQP1 (0.52) AQP1PLA2G7HTR1AHTR7CNR1
SCHEMBL4765139 0.80 AQP1 (0.49) AQP1HTR1AHTR7CNR1HTR2A
SCHEMBL4595485 0.80 MAPK14 (0.41)
SCHEMBL4596345 0.80 AQP1 (0.35) AQP1PLA2G7HTR1AHTR7HTR2A
SCHEMBL5583710 0.79 CYP2A6 (0.39) AQP1HTR1AHTR7HTR2AHTR2C
SCHEMBL4596889 0.78 THRB (0.39) AQP1
SCHEMBL4649843 0.78 HTR1A (0.40) AQP1HTR1AHTR7HTR2AHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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