SCHEMBL5791140

SCHEMBL5791140

Fc1cccc(-c2cccc3c2OC(CN2CCNCC2)C3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA2 P54646 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
HTR7 P34969 7/20 0.39
HTR1A P08908 5/20 0.39
HTR2A P28223 3/20 0.39
HTR1D P28221 2/20 0.39
HTR2B P41595 2/20 0.39
HTR6 P50406 2/20 0.39
HTR2C P28335 2/20 0.39
HTR1B P28222 1/20 0.39
HTR3A P46098 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
ABCB1 P08183 1/20 0.35
CHRM3 P20309 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
SCHEMBL5807660 0.87 HRH3 (0.55) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5795007 0.87 HRH3 (0.55) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5791988 0.85 HRH3 (0.53) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5795029 0.83 HRH3 (0.52) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5792463 0.79 HRH3 (0.53) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4228951 0.78 PRKAB2 (0.71) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5792689 0.78 HRH3 (0.52) HRH3HTR7HTR2AHTR2BHTR2C
SCHEMBL5792693 0.78 HRH3 (0.52) HRH3HTR7HTR2AHTR2BHTR2C
SCHEMBL5821072 0.77 HRH3 (0.48) HRH3HTR1AHTR2AHTR2BHTR2C
SCHEMBL5792518 0.77 HRH3 (0.48) HRH3PRKAB2PRKAG1PRKAA2PRKAA1

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