SCHEMBL5281178

SCHEMBL5281178

CCN(CC)CCCOc1ccc(C#N)cc1.O=C(c1ccccc1)c1ccc(OCCCCCN2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.69
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
BCHE P06276 7/20 0.59
ACHE P22303 7/20 0.59
HRH3 Q9Y5N1 2/20 0.59
LTA4H P09960 1/20 0.57
PDE1A P54750 5/20 0.53
PDE1B Q01064 5/20 0.53
PDE1C Q14123 5/20 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
SCHEMBL5296696 0.85 HRH3 (0.74) HRH3
SCHEMBL5277493 0.84 HRH3 (0.61) KDM4EALDH1A1ACHEHRH3
SCHEMBL9360133 0.83 HRH4 (1.00) HRH4KDM4EALDH1A1BCHEACHE
SCHEMBL491674 0.83 HRH4 (1.00) HRH4KDM4EALDH1A1BCHEACHE
SCHEMBL7369141 0.82 HRH4 (0.97) HRH4KDM4EALDH1A1BCHEACHE
Hydrochloric Acid SCHEMBL7407264 0.81 HRH4 (0.95) HRH4KDM4EALDH1A1BCHEACHE
SCHEMBL9360171 0.81 HRH4 (0.95) HRH4KDM4EALDH1A1BCHEACHE
SCHEMBL5280171 0.80 HRH3 (0.63) HRH3
SCHEMBL9360240 0.79 BCHE (0.78) BCHEACHE
SCHEMBL13305510 0.79 BCHE (0.77) KDM4EBCHEACHEHRH3

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