SCHEMBL4437596

SCHEMBL4437596

COc1ccc2ccc(Br)c(C(CO)CC(c3cc4c(cn3)OCCO4)N(C(=O)O)N3CCCCC3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.34

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
SCHEMBL3149928 0.75 KCNH2 (0.40) KCNH2
SCHEMBL3146667 0.73 KCNH2 (0.46) KCNH2
SCHEMBL3149915 0.68 KCNH2 (0.43) KCNH2
SCHEMBL3216011 0.63 SLC2A1 (0.33) KCNH2
SCHEMBL3214088 0.62 KCNH2 (0.50) KCNH2
SCHEMBL3153644 0.62 MTNR1A (0.41) KCNH2
SCHEMBL4797208 0.61 MTNR1A (0.32)
SCHEMBL3228913 0.61 MTNR1A (0.40)
SCHEMBL1723874 0.59 MTNR1A (0.36) KCNH2
SCHEMBL3201913 0.58 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed