SCHEMBL5280015

SCHEMBL5280015

Clc1cccc(OCCCCCN2CCCC2)c1.c1ccc(-c2ccc(OCCCCCN3CCCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.79
KCNH2 Q12809 3/20 0.74
HRH4 Q9H3N8 3/20 0.74
HRH1 P35367 1/20 0.67

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
SCHEMBL491593 0.90 HRH3 (0.97) HRH3
SCHEMBL5856321 0.89 HRH3 (0.94) HRH3
SCHEMBL492265 0.87 HRH3 (0.97) HRH3KCNH2HRH4HRH1
SCHEMBL10676754 0.87 HRH3 (0.97) HRH3KCNH2HRH4HRH1
SCHEMBL491712 0.86 HRH3 (0.97) HRH3KCNH2HRH4
SCHEMBL5857700 0.86 HRH3 (0.94) HRH3KCNH2HRH4HRH1
SCHEMBL10679417 0.86 HRH3 (0.97) HRH3KCNH2HRH4HRH1
SCHEMBL5858684 0.85 HRH3 (0.95) HRH3KCNH2HRH4
SCHEMBL5281156 0.82 HRH3 (0.83) HRH3KCNH2HRH4HRH1
SCHEMBL4094594 0.82 HRH3 (1.00) HRH3KCNH2HRH4HRH1

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 claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed