SCHEMBL6047950

SCHEMBL6047950

COc1cccc(-c2cc(C)cc3c2OC(C(C)N)C3)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
MAPK10 P53779 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CYP19A1 P11511 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 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
SCHEMBL4595595 0.82 ALDH1A1 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4224418 0.82 PRKAB2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595592 0.81 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047951 0.80 HTR7 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4219322 0.79 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4219315 0.77 AQP1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8036097 0.75 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5077978 0.75 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5605407 0.74 AQP1 (0.47) TP53POLBKDM4ELMNAALDH1A1
SCHEMBL4231558 0.74 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-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