SCHEMBL27728293

SCHEMBL27728293

COc1ccccc1-c1cc(Cl)cc2c1OC(CCN)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
AQP1 P29972 3/20 0.40
HTR7 P34969 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SLC6A4 P31645 8/20 0.37
SLC6A2 P23975 7/20 0.37
SLC6A3 Q01959 6/20 0.37
MAP2 P11137 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
EZH2 Q15910 1/20 0.36

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
SCHEMBL4231572 0.91 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4230367 0.90 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220515 0.90 AQP1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220327 0.87 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4231247 0.87 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226233 0.87 AQP1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4231148 0.86 AQP1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220861 0.85 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4234719 0.84 AQP1 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27728290 0.83 AQP1 (0.48) 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
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN claimed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed