SCHEMBL4773792

SCHEMBL4773792

CC(C)(C)C(CCN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1)NC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.63
HRH1 P35367 18/20 0.63
ADRA1B P35368 18/20 0.63
HRH3 Q9Y5N1 9/20 0.63
KCNH2 Q12809 8/20 0.63
ADRA2A P08913 2/20 0.63
CHRM1 P11229 2/20 0.63
ADRA2B P18089 2/20 0.63
HTR2A P28223 2/20 0.63
DRD3 P35462 2/20 0.63
ABCB1 P08183 2/20 0.63
CHRM2 P08172 1/20 0.63
ADRB1 P08588 1/20 0.63
CYP2D6 P10635 1/20 0.63
GABRA1 P14867 1/20 0.63
ADRA2C P18825 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2C P28335 1/20 0.63
SLC6A4 P31645 1/20 0.63
OPRM1 P35372 1/20 0.63

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
SCHEMBL4771775 0.95 ADRA1A (0.61) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2819064 0.84 HRH1 (0.68) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2822110 0.83 HRH1 (0.67) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2820250 0.82 HRH1 (0.67) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL10372558 0.81 ADRA1A (0.79) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2780705 0.81 HRH1 (0.66) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL10375081 0.80 ADRA1A (0.75) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL6886542 0.80 ADRA1A (0.84) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL6886545 0.80 ADRA1A (0.84) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL4662127 0.80 HRH1 (0.63) ADRA1AHRH1ADRA1BHRH3KCNH2

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