SCHEMBL5281009

SCHEMBL5281009

COc1ccc(OCCCCCN2CCCC2)cc1.Cc1ccc(OCCCCCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 1/20 0.64
HRH3 Q9Y5N1 11/20 0.63
LTA4H P09960 1/20 0.61
MAPK14 Q16539 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
SCHEMBL492263 0.94 MEN1 (0.71) MAOAMAOBPOLBMAPTMEN1
SCHEMBL491546 0.94 MEN1 (0.71) MEN1LMNAHTTKMT2AHRH3
SCHEMBL10200144 0.94 MEN1 (0.71) MEN1LMNAHTTKMT2AHRH3
SCHEMBL7392197 0.92 POLB (0.74) MAOAMAOBPOLBMAPTMEN1
SCHEMBL5857286 0.92 MEN1 (0.69) MEN1LMNAHTTKMT2AHRH3
SCHEMBL12835095 0.92 HRH3 (0.73) MEN1LMNAHTTKMT2AHRH3
SCHEMBL13246342 0.92 HRH3 (0.71) MEN1LMNAHTTKMT2AHRH3
Hydrochloric Acid SCHEMBL7403383 0.91 POLB (0.72) MAOAMAOBPOLBMAPTMEN1
SCHEMBL13246349 0.91 HRH3 (0.73) MEN1LMNAHTTKMT2AHRH3
SCHEMBL2629440 0.88 HRH3 (0.72) MEN1KMT2AHRH3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863487-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
WO-2006103546-A2 TREATMENT OF PARKINSON'S DISEASE, OBSTRUCTIVE SLEEP APNEA, DEMENTIA WITH LEWY BODIES, VASCULAR DEMENTIA WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed