SCHEMBL5583580

SCHEMBL5583580

CCC(N)C1Cc2cccc(-c3ccccc3C)c2O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR1A P08908 1/20 0.30
PARP1 P09874 3/20 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
SCHEMBL5077978 0.79 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5060050 0.77 CYP11B1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4224199 0.76 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5795153 0.76 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4235123 0.75 SCN4A (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047940 0.74 PARP1 (0.49) ALDH1A1MAPK1HTR2AHTR2CHTR1A
SCHEMBL8039749 0.74 CYP19A1 (0.40)
SCHEMBL5808277 0.74 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047939 0.73 HTR2A (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4224729 0.72 ALDH1A1 (0.40) ALDH1A1MAPK1

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