SCHEMBL5791592

SCHEMBL5791592

NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.54
PRKAG1 P54619 2/20 0.54
PRKAA2 P54646 2/20 0.54
PRKAA1 Q13131 2/20 0.54
PRKAG3 Q9UGI9 2/20 0.54
PRKAG2 Q9UGJ0 2/20 0.54
PRKAB1 Q9Y478 2/20 0.54
AQP1 P29972 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 1/20 0.40
HTR2A P28223 2/20 0.39
AADAT Q8N5Z0 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
DRD2 P14416 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.33
CNR2 P34972 2/20 0.32
ATM Q13315 1/20 0.32
METAP1 P53582 1/20 0.32
PNMT P11086 1/20 0.32

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
SCHEMBL4225706 1.00 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4972949 0.88 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4998271 0.87 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8210630 0.87 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4219026 0.85 AQP1 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226266 0.85 AQP1 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226531 0.84 AQP1 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226076 0.82 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5820828 0.82 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220264 0.81 PRKAB2 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006000902-A1 DIHYDROBENZOFURAN COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed