SCHEMBL6047893

SCHEMBL6047893

CNC(=O)OC1Cc2cccc(-c3cccc(C)c3)c2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.39
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
ENPP3 O14638 1/20 0.36
BCHE P06276 1/20 0.36
CNR2 P34972 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6047971 0.90 NPC1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047953 0.88 CHRM3 (0.40) CHRM3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6047942 0.88 CHRM3 (0.40) CHRM3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6047917 0.87 LMNA (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047922 0.83 RAB9A (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047978 0.82 ALDH1A1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047960 0.80 BCHE (0.38) CHRM3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6047892 0.80 BCHE (0.38) CHRM3BCHEHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4652327 0.80 AQP1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047891 0.79 PRKAB2 (0.39) 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