SCHEMBL5336301

SCHEMBL5336301

COc1ccc2c(=O)n(C)c(-c3ccc(OCCCN4CCCC(C)C4)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.61
KCNH2 Q12809 6/20 0.61
ADRA1A P35348 2/20 0.61
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL2003334 1.00 HRH3 (0.61) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL2004698 0.89 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL502676 0.85 HRH3 (0.80) HRH3KCNH2ADRA1A
SCHEMBL2005250 0.83 HRH3 (0.53) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL5336265 0.83 HRH3 (0.53) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL2008001 0.81 HRH3 (0.59) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL2008462 0.81 HRH3 (0.55) HRH3KCNH2ADRA1AHRH2HRH1
SCHEMBL5333167 0.80 HRH3 (0.63) HRH3KCNH2ADRA1A
SCHEMBL2004044 0.80 HRH3 (0.63) HRH3KCNH2ADRA1A
SCHEMBL2005484 0.80 HRH3 (0.78) HRH3KCNH2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed