SCHEMBL4057964

SCHEMBL4057964

Cn1ncc2ccc(OCCCC3CCCNC3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
NPY1R P25929 12/20 0.41
PRKCZ Q05513 1/20 0.39
GRK2 P25098 1/20 0.39
ACP1 P24666 2/20 0.39
GHSR Q92847 1/20 0.38
HTR3A P46098 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
SCHEMBL4059363 0.81 HTR3A (0.59) TLR7NPY1RACP1HTR3A
SCHEMBL4057349 0.78 HTR3A (0.58) TLR7NPY1RHTR3A
SCHEMBL1376613 0.76 NPC1 (0.44) HTR3A
SCHEMBL1372736 0.75 HTR3A (0.67) HTR3A
SCHEMBL1372733 0.75 HTR3A (0.67) HTR3A
SCHEMBL1372695 0.75 HTR3A (0.64) HTR3A
SCHEMBL4056938 0.74 HRH3 (0.44) NPY1RACP1HTR3A
SCHEMBL4057662 0.72 HRH3 (0.61)
SCHEMBL4054814 0.72 HRH3 (0.58)
SCHEMBL4060869 0.72 HTR3A (0.60) TLR7NPY1RHTR3A

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