SCHEMBL5283396

SCHEMBL5283396

CC(=O)c1ccc(OCCCN2CCCC(C)C2)cc1.CC(=O)c1ccc(OCCCN2C[C@@H](C)C[C@H](C)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
HRH3 Q9Y5N1 14/20 0.64
HRH2 P25021 2/20 0.64
HRH1 P35367 2/20 0.64
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HRH4 Q9H3N8 1/20 0.62
LMNA P02545 1/20 0.60

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
SCHEMBL492178 0.95 KDM4E (0.70) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL12062196 0.95 KDM4E (0.70) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL5286039 0.92 KDM4E (0.76) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL492041 0.91 HRH2 (0.64) KDM4EHRH3HRH2HRH1SMN1; SMN2
SCHEMBL492475 0.91 HRH2 (0.64) KDM4EHRH3HRH2HRH1SMN1; SMN2
SCHEMBL4094705 0.91 HRH2 (0.64) KDM4EHRH3HRH2HRH1SMN1; SMN2
SCHEMBL492040 0.91 HRH2 (0.64) KDM4EHRH3HRH2HRH1SMN1; SMN2
SCHEMBL4597058 0.91 HRH2 (0.64) KDM4EHRH3HRH2HRH1SMN1; SMN2
SCHEMBL7390114 0.89 HRH2 (0.66) KDM4EHRH3HRH2HRH1ALDH1A1
SCHEMBL5296690 0.84 KDM4E (0.64) KDM4EHRH3HRH2HRH1ALDH1A1

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 6 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 claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed
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
EP-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 EP disclosed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO disclosed