SCHEMBL3395836

SCHEMBL3395836

O=C(O)NC[C@H]1CN(CC2Cn3c(=O)ccc4ccc(F)c2c43)C[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
KCNH2 Q12809 5/20 0.39

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
SCHEMBL13070275 0.87 SLC2A1 (0.47) SLC2A1KCNH2
SCHEMBL3205616 0.85 SLC2A1 (0.41) SLC2A1KCNH2
SCHEMBL3209119 0.80 SLC2A1 (0.47) SLC2A1KCNH2
SCHEMBL3395347 0.78 KCNH2 (0.55) SLC2A1KCNH2
SCHEMBL13070241 0.78 KCNH2 (0.55) SLC2A1KCNH2
SCHEMBL3611555 0.76 CNR1 (0.31)
SCHEMBL3149404 0.76 SLC2A1 (0.44) SLC2A1KCNH2
SCHEMBL3215220 0.74 KCNH2 (0.61) KCNH2
SCHEMBL4611499 0.74 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL3399332 0.74 KCNH2 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed