SCHEMBL5751789

SCHEMBL5751789

COc1ccc2nccc(N3CCC(CCNCc4ccc5ncc(=O)sc5n4)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
ENPP1 P22413 1/20 0.43
KCNH2 Q12809 5/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
CHRM4 P08173 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR8 P51685 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL4065991 0.81 KCNH2 (0.56) NCF1ENPP1KCNH2
SCHEMBL4067873 0.80 KCNH2 (0.63) NCF1KCNH2
SCHEMBL4063487 0.78 KCNH2 (0.60) NCF1ENPP1KCNH2
SCHEMBL4066233 0.73 NCF1 (0.62) NCF1ENPP1KCNH2CHRM4KMT2A
SCHEMBL4065882 0.73 NCF1 (0.52) NCF1ENPP1SIRT2SIRT1SIRT3
SCHEMBL4066813 0.72 KCNH2 (0.46) KCNH2
SCHEMBL5750709 0.72 NCF1 (0.41) NCF1ENPP1KCNH2CHRM4CCR8
SCHEMBL4064236 0.72 KCNH2 (0.51) ENPP1KCNH2
SCHEMBL2949571 0.72 KCNH2 (0.51) ENPP1KCNH2
SCHEMBL4068568 0.71 KCNH2 (0.52) KCNH2

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-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO disclosed