SCHEMBL4055751

SCHEMBL4055751

Cc1cc(-c2ccc(OCCCC3CCCNC3)cc2)nn(C(C)C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
ACP1 P24666 5/20 0.42
HTR3A P46098 1/20 0.41
BRD4 O60885 2/20 0.41
NPY1R P25929 7/20 0.40
SYK P43405 1/20 0.38
KCNH2 Q12809 1/20 0.38
AURKB Q96GD4 1/20 0.38
ATAD2 Q6PL18 1/20 0.38

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
SCHEMBL4060149 0.88 HRH3 (0.59) HRH3ACP1HTR3AKCNH2
SCHEMBL4056938 0.88 HRH3 (0.44) HRH3ACP1HTR3ABRD4NPY1R
SCHEMBL4065549 0.82 HRH3 (0.49) HRH3ACP1BRD4NPY1R
SCHEMBL4057615 0.80 HRH3 (0.59) HRH3ACP1HTR3ABRD4NPY1R
SCHEMBL4054814 0.79 HRH3 (0.58) HRH3KCNH2
SCHEMBL4066805 0.78 HRH3 (0.65) HRH3NPY1R
SCHEMBL4060869 0.77 HTR3A (0.60) HRH3HTR3ANPY1RKCNH2
SCHEMBL4059363 0.76 HTR3A (0.59) HRH3ACP1HTR3ANPY1RKCNH2
SCHEMBL1373099 0.76 HRH3 (0.78) HRH3HTR3AKCNH2
SCHEMBL1373096 0.76 HRH3 (0.78) HRH3HTR3AKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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