SCHEMBL5288638

SCHEMBL5288638

CCCN(CCC)CCCOc1ccc(C#N)cc1.CCN(CC)CCCCCCOc1ccc(C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL5286366 0.99 MAOA (0.52) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL490779 0.94 MAOA (0.56) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL492104 0.94 MAOA (0.53) MAOAMAOB
SCHEMBL491842 0.94 MAOA (0.53) MAOAMAOB
SCHEMBL492188 0.93 MAOA (0.51) MAOAMAOB
SCHEMBL5857711 0.91 MAOA (0.50) MAOAMAOB
SCHEMBL491657 0.91 KDM4E (0.55) KDM4E
SCHEMBL491721 0.91 ATP4A (0.49) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL5276493 0.84 KDM4E (0.56) KDM4EALDH1A1
SCHEMBL7387065 0.84 ABCB11 (0.50) KDM4EALDH1A1

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 6 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
EP-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 EP disclosed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO disclosed