SCHEMBL4236547

SCHEMBL4236547

CC1CCCN1CCCOc1ccc(C2=NN(C(F)C(F)F)C(=O)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.81
KCNH2 Q12809 3/20 0.54
HTR3A P46098 2/20 0.53
CHRM2 P08172 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL1373080 0.85 HRH3 (1.00) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL1373083 0.85 HRH3 (1.00) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL1375720 0.81 HRH3 (1.00) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL1375722 0.81 HRH3 (1.00) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL10196891 0.80 HRH3 (1.00) HRH3KCNH2
SCHEMBL1374343 0.79 HRH3 (1.00) HRH3KCNH2HTR3A
SCHEMBL1374345 0.79 HRH3 (1.00) HRH3KCNH2HTR3A
SCHEMBL1374734 0.78 HRH3 (1.00) HRH3HTR3A
SCHEMBL1374739 0.78 HRH3 (1.00) HRH3HTR3A
SCHEMBL1375529 0.77 HRH3 (1.00) HRH3KCNH2HTR3ACHRM2SLC6A2

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-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed