SCHEMBL4060869

SCHEMBL4060869

Cc1nn(C)c(=O)cc1-c1ccc(OCCCC2CCCNC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.60
HRH3 Q9Y5N1 4/20 0.48
TLR7 Q9NYK1 1/20 0.42
KDM1A O60341 1/20 0.41
NPY1R P25929 7/20 0.41
KCNH2 Q12809 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
SCHEMBL4056854 0.87 HTR3A (0.46) HTR3AHRH3TLR7KDM1ANPY1R
SCHEMBL4054814 0.83 HRH3 (0.58) HRH3KCNH2
SCHEMBL4056938 0.83 HRH3 (0.44) HTR3AHRH3NPY1RKCNH2
SCHEMBL4057462 0.82 HTR3A (0.59) HTR3AHRH3KDM1ANPY1RKCNH2
SCHEMBL4059363 0.82 HTR3A (0.59) HTR3AHRH3TLR7NPY1RKCNH2
SCHEMBL4057349 0.80 HTR3A (0.58) HTR3AHRH3TLR7NPY1RKCNH2
SCHEMBL4064118 0.80 HTR3A (0.58) HTR3AHRH3KDM1ANPY1RKCNH2
SCHEMBL4055751 0.77 HRH3 (0.46) HTR3AHRH3NPY1RKCNH2
SCHEMBL3610358 0.77 HTR3A (0.71) HTR3AHRH3KCNH2
SCHEMBL4055627 0.76 ACP1 (0.42) HRH3NPY1RKCNH2

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