SCHEMBL4606822

SCHEMBL4606822

COc1ccc2c(c[c]n2-c2ccc(OCCCN3CCCC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HRH3 Q9Y5N1 14/20 0.52
KCNH2 Q12809 4/20 0.52
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH1 P35367 2/20 0.48
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL75332 0.81 HRH3 (0.58) POLBMAPTHRH3KCNH2MAOA
SCHEMBL75477 0.80 HRH3 (0.59) POLBMAPTHRH3KCNH2MAOA
SCHEMBL73535 0.77 HRH3 (0.54) POLBMAPTHRH3KCNH2MAOA
SCHEMBL73863 0.77 HRH3 (0.54) POLBMAPTHRH3KCNH2MAOA
SCHEMBL28995440 0.75 CYP19A1 (0.40) MAPTMAOBKDM4EALDH1A1
SCHEMBL4099964 0.75 HRH3 (0.84) POLBMAPTHRH3KCNH2HRH1
SCHEMBL4608619 0.74 KDM4E (0.53) HRH3KCNH2KDM4EALDH1A1HRH1
SCHEMBL31314460 0.73 HRH3 (0.75) POLBMAPTHRH3KCNH2MAOA
SCHEMBL492263 0.72 MEN1 (0.71) POLBMAPTHRH3MAOAMAOB
SCHEMBL12050718 0.71 HRH3 (0.96) HRH3KCNH2HRH1HRH4

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-1945206-B1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2013-04-24 EP disclosed
EP-1945206-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS Athersys, Inc. (US) 2008-07-23 EP disclosed
WO-2007047775-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS, INC. (US) 2007-04-26 WO disclosed