SCHEMBL4596563

SCHEMBL4596563

[CH2]C1Cc2cccc(-c3c(C)cccc3C)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.38
DRD2 P14416 2/20 0.38
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
HTR7 P34969 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PARP1 P09874 3/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
MYC P01106 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ACHE P22303 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
SCHEMBL6047939 0.87 HTR2A (0.40) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL4759254 0.83 AQP1 (0.36) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL4596565 0.82 PARP1 (0.53) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL4595332 0.82 AQP1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595443 0.81 AQP1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596908 0.81 DRD2 (0.37) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6047926 0.81 PRKAB2 (0.39) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL4596979 0.81 AQP1 (0.40) HTR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4222094 0.79 PRKAB2 (0.56) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL4608433 0.79 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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