SCHEMBL5284881

SCHEMBL5284881

c1ccc(SCCCCCN2CCCC2)cc1.c1ccc(SCCCCN2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 1/20 0.62
LTA4H P09960 2/20 0.58
SIGMAR1 Q99720 2/20 0.57
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HRH3 Q9Y5N1 3/20 0.51
KCNH2 Q12809 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL491707 1.00 KDM4E (0.62) KDM4EALDH1A1LTA4HSIGMAR1GRIN2A
SCHEMBL14591679 1.00 KDM4E (0.62) KDM4EALDH1A1LTA4HSIGMAR1GRIN2A
SCHEMBL491576 0.98 KDM4E (0.64) KDM4EALDH1A1LTA4HSIGMAR1GRIN2A
Oxalic Acid SCHEMBL5856307 0.92 KDM4E (0.75) KDM4EALDH1A1TDP1MEN1KMT2A
Oxalic Acid SCHEMBL5856288 0.91 KDM4E (0.77) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL5281831 0.90 HRH3 (0.64) KDM4EALDH1A1LTA4HHRH3KCNH2
SCHEMBL6052619 0.88 HRH3 (0.65) KDM4EALDH1A1LTA4HHRH3KCNH2
SCHEMBL7388724 0.87 KDM4E (0.59) KDM4EALDH1A1LTA4HGRIN2AGRIN2B
SCHEMBL7392098 0.87 KDM4E (0.59) KDM4EALDH1A1LTA4HGRIN2AGRIN2B
SCHEMBL19273423 0.85 LTA4H (0.75) KDM4EALDH1A1LTA4HSIGMAR1GRIN2A

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-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