SCHEMBL5962268

SCHEMBL5962268

CC(=O)N(C)c1ccc2nc(C)n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)c2c1.Cc1nc2cc(NC(=O)c3ccc4ccccc4c3)ccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.56
KCNH2 Q12809 15/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL4473262 0.91 HRH3 (0.65) HRH3KCNH2ADRA1A
SCHEMBL4466309 0.90 HRH3 (0.65) HRH3KCNH2ADRA1A
SCHEMBL4462466 0.86 HRH3 (0.71) HRH3KCNH2ADRA1A
SCHEMBL4473126 0.86 HRH3 (0.71) HRH3KCNH2ADRA1A
SCHEMBL4472456 0.84 HRH3 (0.69) HRH3KCNH2ADRA1A
SCHEMBL4470819 0.81 HRH3 (0.73) HRH3KCNH2ADRA1A
SCHEMBL4482194 0.79 HRH3 (0.73) HRH3KCNH2ADRA1A
SCHEMBL4463235 0.79 HRH3 (0.69) HRH3KCNH2ADRA1A
SCHEMBL4478861 0.77 HRH3 (0.69) HRH3KCNH2ADRA1A
SCHEMBL4472458 0.77 HRH3 (0.67) 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-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed