SCHEMBL4057349

SCHEMBL4057349

Cn1ncc(-c2ccc(OCCCC3CCCCNC3)cc2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.58
HRH3 Q9Y5N1 4/20 0.45
KCNH2 Q12809 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
HPGD P15428 1/20 0.39
NPY1R P25929 5/20 0.39

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
SCHEMBL4059363 0.97 HTR3A (0.59) HTR3AHRH3KCNH2TLR7NPY1R
SCHEMBL4059525 0.83 HTR3A (0.61) HTR3AHRH3NPY1R
SCHEMBL4066338 0.80 HTR3A (0.62) HTR3AHRH3NPY1R
SCHEMBL4060869 0.80 HTR3A (0.60) HTR3AHRH3KCNH2TLR7NPY1R
SCHEMBL4057964 0.78 MAP2K1 (0.42) HTR3ATLR7NPY1R
SCHEMBL4054814 0.78 HRH3 (0.58) HRH3KCNH2
SCHEMBL4056938 0.78 HRH3 (0.44) HTR3AHRH3KCNH2NPY1R
SCHEMBL4056854 0.77 HTR3A (0.46) HTR3AHRH3TLR7NPY1R
SCHEMBL4057662 0.76 HRH3 (0.61) HRH3HPGD
SCHEMBL4061696 0.75 HRH3 (0.50) HTR3AHRH3TLR7NPY1R

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