SCHEMBL5262552

SCHEMBL5262552

Cc1cccnc1-c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.63
KCNH2 Q12809 4/20 0.61
HRH1 P35367 1/20 0.61
HRH4 Q9H3N8 1/20 0.55

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
SCHEMBL2984892 0.82 HRH3 (0.64) HRH3KCNH2HRH1HRH4
SCHEMBL4090418 0.81 HRH3 (0.73) HRH3KCNH2HRH1HRH4
SCHEMBL12050645 0.79 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL4094339 0.79 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL3061210 0.79 ALDH1A1 (0.61) HRH3KCNH2
SCHEMBL4089489 0.78 HRH3 (0.84) HRH3KCNH2HRH1HRH4
SCHEMBL12050718 0.78 HRH3 (0.96) HRH3KCNH2HRH1HRH4
SCHEMBL3581930 0.78 HRH3 (0.89) HRH3KCNH2HRH1
SCHEMBL12050716 0.77 HRH3 (0.82) HRH3KCNH2HRH1HRH4
SCHEMBL4094281 0.77 HRH3 (0.72) HRH3KCNH2HRH1HRH4

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