SCHEMBL4059525

SCHEMBL4059525

O=c1cc(-c2ccc(OCCCC3CCCCNC3)cc2)cnn1-c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.61
HRH3 Q9Y5N1 4/20 0.61
ACP1 P24666 3/20 0.39
TGFBR1 P36897 1/20 0.37
NPY1R P25929 2/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL4066338 0.97 HTR3A (0.62) HTR3AHRH3ACP1NPY1R
SCHEMBL4057349 0.83 HTR3A (0.58) HTR3AHRH3NPY1R
SCHEMBL4059363 0.80 HTR3A (0.59) HTR3AHRH3ACP1NPY1R
SCHEMBL3617516 0.78 HTR3A (0.72) HTR3AHRH3
SCHEMBL1376391 0.76 HTR3A (1.00) HTR3AHRH3
SCHEMBL1375890 0.76 HTR3A (1.00) HTR3AHRH3
SCHEMBL1372486 0.76 HTR3A (1.00) HTR3AHRH3
SCHEMBL1372483 0.76 HTR3A (1.00) HTR3AHRH3
SCHEMBL1376832 0.76 HTR3A (1.00) HTR3AHRH3
SCHEMBL28770567 0.71 CYP3A4 (0.49) HRH3ACP1NPY1R

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 claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed