SCHEMBL5750709

SCHEMBL5750709

COc1ccc2nccc(N3CCC(CCNCC4=CC5=C(CO4)N=CC(=O)C5)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
ENPP1 P22413 1/20 0.41
KCNH2 Q12809 5/20 0.36
CHRM4 P08173 1/20 0.35
PREP P48147 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
SLC2A1 P11166 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL4067873 0.74 KCNH2 (0.63) NCF1KCNH2
SCHEMBL4063487 0.74 KCNH2 (0.60) NCF1ENPP1KCNH2
SCHEMBL5751789 0.72 NCF1 (0.44) NCF1ENPP1KCNH2CHRM4CCR8
SCHEMBL4066233 0.71 NCF1 (0.62) NCF1ENPP1KCNH2CHRM4MTNR1B
SCHEMBL4065882 0.70 NCF1 (0.52) NCF1ENPP1PREPSLC2A1MTNR1A
SCHEMBL4065991 0.70 KCNH2 (0.56) NCF1ENPP1KCNH2
SCHEMBL1223790 0.67 NCF1 (0.59) NCF1ENPP1KCNH2CHRM4MTNR1B
SCHEMBL18979927 0.66 NCF1 (0.53) NCF1ENPP1KCNH2CHRM4MTNR1A
SCHEMBL4068568 0.64 KCNH2 (0.52) KCNH2
SCHEMBL1223418 0.64 NCF1 (0.62) NCF1KCNH2CHRM4BCHE

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