SCHEMBL5282995

SCHEMBL5282995

c1cc2c(c(OCCCCCN3CCCC3)c1)CCCC2.c1ccc(OCCCCN2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.57
KCNH2 Q12809 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 2/20 0.54
HTR6 P50406 2/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL6052621 0.94 HRH3 (0.52) HRH3KCNH2HRH4KDM4EMEN1
SCHEMBL491852 0.93 HRH3 (0.62) HRH3KDM4EMEN1KMT2AALDH1A1
SCHEMBL492176 0.82 HRH3 (0.79) HRH3KCNH2HRH4KDM4EALDH1A1
SCHEMBL491550 0.82 HRH3 (0.79) HRH3KCNH2HRH4KDM4EALDH1A1
SCHEMBL11270870 0.81 HTR1A (0.59) HRH3KCNH2HTR2A
SCHEMBL5291543 0.80 HRH3 (0.82) HRH3KCNH2HRH4KDM4EALDH1A1
SCHEMBL492095 0.80 HRH3 (0.82) HRH3KCNH2HRH4KDM4EALDH1A1
SCHEMBL491556 0.80 HRH3 (0.82) HRH3KCNH2HRH4KDM4EALDH1A1
SCHEMBL7398556 0.80 HRH3 (0.82) HRH3KCNH2HRH4KDM4EALDH1A1
SCHEMBL491672 0.80 HRH3 (0.79) HRH3KCNH2HRH4KDM4EALDH1A1

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 claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed