SCHEMBL4065933

SCHEMBL4065933

CN1N=C(c2ccc(OCCCC3CCCNC3)cc2)C2CCCC2C1=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.63
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
DNMT3A Q9Y6K1 1/20 0.41
NPY1R P25929 9/20 0.41
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL3611900 0.78 HRH3 (1.00) HRH3
SCHEMBL3614602 0.75 HRH3 (1.00) HRH3
SCHEMBL4054814 0.75 HRH3 (0.58) HRH3
SCHEMBL3614609 0.75 HRH3 (1.00) HRH3
SCHEMBL4065277 0.75 HRH3 (0.62) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL4055300 0.75 HRH3 (0.61) HRH3NPY1RTLR7
SCHEMBL4059363 0.74 HTR3A (0.59) HRH3NPY1RTLR7
SCHEMBL28770567 0.73 CYP3A4 (0.49) HRH3NPY1R
SCHEMBL4056938 0.73 HRH3 (0.44) HRH3NPY1R
SCHEMBL4060869 0.73 HTR3A (0.60) HRH3NPY1RTLR7

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