SCHEMBL5288693

SCHEMBL5288693

CCOC(=O)C1CCCN(CCCCCOc2ccccc2)C1.O=C(c1ccc(OCCCN2CCCCC2)cc1)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.64
MAOB P27338 1/20 0.64
HRH1 P35367 4/20 0.61
HRH2 P25021 3/20 0.61
SIGMAR1 Q99720 1/20 0.58
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HRH4 Q9H3N8 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KCNH2 Q12809 2/20 0.52

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
SCHEMBL491545 0.89 SIGMAR1 (0.67) SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL8909936 0.88 ALDH1A1 (0.66) SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL8909943 0.88 ALDH1A1 (0.66) SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL5281462 0.87 SIGMAR1 (0.63) HRH3SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL8910535 0.82 ALDH1A1 (0.69) SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL8693251 0.82 ALDH1A1 (0.69) SIGMAR1KDM4EALDH1A1L3MBTL1
SCHEMBL7141641 0.82 LTA4H (0.70) HRH3SIGMAR1KDM4EALDH1A1L3MBTL1
Oxalic Acid SCHEMBL8694605 0.80 ALDH1A1 (0.66) SIGMAR1KDM4EALDH1A1L3MBTL1
Oxalic Acid SCHEMBL5856199 0.80 HRH3 (0.86) HRH3MAOBHRH1HRH2KDM4E
SCHEMBL492129 0.80 HRH3 (1.00) HRH3MAOBHRH1HRH2KDM4E

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