SCHEMBL17074064

SCHEMBL17074064

COc1ccc(COc2cc3cn(C4CC5CCC(C4)N5C)c(=O)nc3cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PLK1 P53350 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CHRM1 P11229 6/20 0.37
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
APP P05067 1/20 0.36
CHRM5 P08912 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KIT P10721 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL17192046 0.81 KIT (0.41) CTSLCTSBPLK1TLR7HDAC8
SCHEMBL15680586 0.77 CHRM1 (0.41) CHRM1CHRM3CHRM2CHRM5
SCHEMBL15680612 0.68 MEN1 (0.40) CHRM1CHRM3CHRM2CHRM5
SCHEMBL15670843 0.67 HTR4 (0.58)
SCHEMBL118088 0.64 MCHR1 (0.53) APP
SCHEMBL14845182 0.64 PIK3CG (0.52) CHRM1
SCHEMBL22836412 0.64 IRAK4 (0.49) MAP4K3
SCHEMBL22836180 0.63 IRAK4 (0.45) MAP4K3KITCSF1R
SCHEMBL14699832 0.63 CXCR4 (0.46)
SCHEMBL15671003 0.63 HDAC6 (0.52) HDAC8CSF1R

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-2917223-A1 2 SUBSTITUTED CEPHEM COMPOUNDS Glaxo Group Limited (GB) 2015-09-16 EP disclosed