SCHEMBL5795029

SCHEMBL5795029

Fc1ccccc1-c1cccc2c1OC(CN1CCNCC1)C2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
HTR7 P34969 3/20 0.39
HTR1A P08908 2/20 0.39
HTR2B P41595 2/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
ABCB1 P08183 3/20 0.37
SIGMAR1 Q99720 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
SCHEMBL5792463 0.87 HRH3 (0.53) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5792689 0.86 HRH3 (0.52) HRH3HTR2AHTR2CHTR7HTR2B
SCHEMBL5792693 0.86 HRH3 (0.52) HRH3HTR2AHTR2CHTR7HTR2B
SCHEMBL5791140 0.83 HRH3 (0.55) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5821072 0.82 HRH3 (0.48) HRH3HTR2AHTR2CHTR1AHTR2B
SCHEMBL5792518 0.80 HRH3 (0.48) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5795007 0.78 HRH3 (0.55) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5807660 0.78 HRH3 (0.55) HRH3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28331525 0.78 MIF (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28331524 0.78 MIF (0.46) 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