SCHEMBL4040571

SCHEMBL4040571

COc1ccc2cc(CCC3(O)CCCCC3NCc3cnc4c(c3)NC(=O)CS4)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL3572912 0.86 MTNR1A (0.38) KCNH2
SCHEMBL3572910 0.72 KCNH2 (0.46) KCNH2
SCHEMBL13633343 0.72 KCNH2 (0.46) KCNH2
SCHEMBL14341402 0.71 KCNH2 (0.68) KCNH2
SCHEMBL5263873 0.70 KCNH2 (0.52) KCNH2
SCHEMBL13638251 0.68 MTNR1A (0.43) KCNH2
SCHEMBL4044878 0.68 KCNH2 (0.47) KCNH2
SCHEMBL6668585 0.68 KCNH2 (0.58) KCNH2
SCHEMBL6667268 0.67 KCNH2 (0.48) KCNH2
SCHEMBL14498826 0.67 KCNH2 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed