SCHEMBL4596007

SCHEMBL4596007

COc1cccc(-c2cccc3c2OC(CCc2ccccc2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
CYP3A4 P08684 1/20 0.46
HTR1A P08908 3/20 0.43
DRD4 P21917 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL4595611 0.85 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220641 0.82 PRKAB2 (0.69) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4219994 0.81 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4624027 0.81 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596005 0.79 HTR1A (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596535 0.79 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047969 0.78 CYP3A4 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220783 0.78 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4597055 0.77 HTR1A (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226192 0.77 PRKAB2 (0.43) 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 2 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