SCHEMBL4662212

SCHEMBL4662212

ClCCCc1ccc(OCCCN2CCCCCC2)cc1.ClCCCc1ccc(OCCCN2CCCCCC2)cc1.OCCCc1ccc(OCCCN2CCCCCC2)cc1.OCCCc1ccc(OCCCN2CCCCCC2)cc1.OCCCc1ccc(OCCCN2CCCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.78
ACHE P22303 3/20 0.66
RAD52 P43351 1/20 0.66

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
SCHEMBL2821540 0.95 HRH3 (0.86) HRH3ACHERAD52
SCHEMBL2821210 0.93 HRH3 (0.85) HRH3ACHERAD52
SCHEMBL2823878 0.91 HRH3 (0.84) HRH3ACHERAD52
SCHEMBL2820804 0.89 HRH3 (0.82) HRH3ACHERAD52
SCHEMBL12061359 0.88 HRH3 (1.00) HRH3ACHERAD52
SCHEMBL7999523 0.88 HRH3 (0.78) HRH3ACHERAD52
SCHEMBL2823988 0.88 HRH3 (1.00) HRH3ACHERAD52
SCHEMBL12061373 0.83 HRH3 (0.90) HRH3ACHERAD52
SCHEMBL12050749 0.82 HRH3 (1.00) HRH3ACHERAD52
SCHEMBL4089206 0.82 HRH3 (1.00) HRH3ACHERAD52

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed