SCHEMBL4055772

SCHEMBL4055772

Cn1nc(-c2cccc(OCCCC3CCCNC3)c2)c2c(c1=O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
ACP1 P24666 2/20 0.41
EED O75530 1/20 0.39
NPY1R P25929 9/20 0.39
BRD4 O60885 2/20 0.36
TLR7 Q9NYK1 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
SCHEMBL1372857 0.78 HRH3 (0.77) HRH3
SCHEMBL1375350 0.78 HRH3 (0.79) HRH3
SCHEMBL1375349 0.78 HRH3 (0.79) HRH3
SCHEMBL4056938 0.77 HRH3 (0.44) HRH3ACP1NPY1RBRD4
SCHEMBL1373335 0.75 HRH3 (0.62) HRH3
SCHEMBL4056854 0.74 HTR3A (0.46) HRH3ACP1NPY1RTLR7
SCHEMBL4057662 0.74 HRH3 (0.61) HRH3
SCHEMBL4055627 0.72 ACP1 (0.42) HRH3ACP1NPY1RBRD4
SCHEMBL4059363 0.71 HTR3A (0.59) HRH3ACP1NPY1RTLR7
SCHEMBL4059169 0.71 ACP1 (0.41) 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