SCHEMBL4974264

SCHEMBL4974264

COc1cccc(-c2cccc3c2OC(CC(N)C2Cc4cccc(-c5cccc(C)c5C)c4O2)C3)c1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.46
PRKAG1 P54619 2/20 0.46
PRKAA2 P54646 2/20 0.46
PRKAA1 Q13131 2/20 0.46
PRKAG3 Q9UGI9 2/20 0.46
PRKAG2 Q9UGJ0 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
KMT2A Q03164 1/20 0.33
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5077978 0.82 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4234512 0.79 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220384 0.79 PRKAB2 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220722 0.74 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4623633 0.74 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4230516 0.72 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596535 0.71 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220377 0.71 PRKAB2 (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4714383 0.70 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047950 0.70 PRKAB2 (0.40) 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-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO disclosed