SCHEMBL5286039

SCHEMBL5286039

CC(=O)c1ccc(OCCCN2CCCC(C)C2)cc1.CC(=O)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
HRH3 Q9Y5N1 14/20 0.66
HRH2 P25021 1/20 0.65
HRH1 P35367 1/20 0.65
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HRH4 Q9H3N8 1/20 0.63
MAOB P27338 1/20 0.62
LMNA P02545 1/20 0.61

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
SCHEMBL12062196 0.96 KDM4E (0.70) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL492178 0.96 KDM4E (0.70) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL5283396 0.92 KDM4E (0.64) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL491803 0.88 KDM4E (0.92) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL5855860 0.87 KDM4E (0.90) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL5213285 0.87 KDM4E (0.89) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL6981478 0.87 KDM4E (0.89) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL5278243 0.86 KDM4E (0.75) KDM4EHRH3ALDH1A1SMN1; SMN2
SCHEMBL4089314 0.85 HRH3 (0.66) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL491823 0.85 HRH3 (0.66) KDM4EHRH3ALDH1A1SMN1; SMN2MAOB

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-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP disclosed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO disclosed