SCHEMBL5287599

SCHEMBL5287599

C[C@@H]1C[C@H](C)CN(CCCCCOc2ccccc2)C1.C[C@H]1C[C@H](C)CN(CCCCCOc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HRH3 Q9Y5N1 2/20 0.58
MAOB P27338 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL491572 1.00 KDM4E (0.60) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL491506 1.00 KDM4E (0.60) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL491505 1.00 KDM4E (0.60) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL5284021 0.89 LTA4H (0.54) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL4094374 0.88 HRH3 (0.62) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL4094371 0.88 HRH3 (0.62) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL4094378 0.88 HRH3 (0.62) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL5295577 0.86 KDM4E (0.56) KDM4EKMT2ATDP1HRH3
SCHEMBL491666 0.85 HRH3 (0.72) KDM4EKMT2ATDP1HRH3MAOB
SCHEMBL491668 0.85 HRH3 (0.72) KDM4EKMT2ATDP1HRH3MAOB

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