SCHEMBL4054583

SCHEMBL4054583

CC(C)n1nc2c(cc1=O)CCc1cc(OCCCC3CCCNC3)ccc1-2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.63
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
HTR3A P46098 1/20 0.36
BRD4 O60885 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
BRAF P15056 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
MAOB P27338 1/20 0.35
MAP2K1 Q02750 1/20 0.35
NPY1R P25929 1/20 0.34
ACP1 P24666 1/20 0.34

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
SCHEMBL1375437 0.77 HRH3 (0.73) HRH3
SCHEMBL4060149 0.77 HRH3 (0.59) HRH3HTR3AACP1
SCHEMBL6634225 0.76 ITGB3 (0.47) HRH3ITGB3ITGA2BMAOBMAP2K1
SCHEMBL6144124 0.75 ITGB3 (0.46) HRH3ITGB3ITGA2BMAOBMAP2K1
SCHEMBL6632127 0.75 ITGB3 (0.61) HRH3ITGB3ITGA2B
SCHEMBL4055751 0.74 HRH3 (0.46) HRH3HTR3ABRD4NPY1RACP1
SCHEMBL6144192 0.74 ITGB3 (0.55) HRH3ITGB3ITGA2B
SCHEMBL4066805 0.71 HRH3 (0.65) HRH3NPY1R
Hydrochloric Acid SCHEMBL6632289 0.70 HRH3 (0.55) HRH3ITGB3ITGA2BMAP2K1NPY1R
SCHEMBL6630382 0.70 DRD2 (0.47) HRH3ITGB3ITGA2BMAP2K1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP 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