SCHEMBL3394012

SCHEMBL3394012

O=c1ccc2ccc(F)c3c2n1CC3CN1CC[CH]CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
KCNH2 Q12809 5/20 0.41
HTR1A P08908 2/20 0.31
DRD2 P14416 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
SCHEMBL3144383 0.88 SLC2A1 (0.44) SLC2A1KCNH2HTR1ADRD2
SCHEMBL3144391 0.88 SLC2A1 (0.44) SLC2A1KCNH2HTR1ADRD2
SCHEMBL3224839 0.85 SLC2A1 (0.47) SLC2A1KCNH2HTR1ADRD2
SCHEMBL3676325 0.85 SLC2A1 (0.36) SLC2A1KCNH2HTR1ADRD2
Hydrochloric Acid SCHEMBL3149069 0.84 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL3149951 0.80 SLC2A1 (0.43) SLC2A1KCNH2HTR1ADRD2
SCHEMBL3142143 0.80 SLC2A1 (0.43) SLC2A1KCNH2HTR1ADRD2
SCHEMBL3155543 0.80 SLC2A1 (0.54) SLC2A1KCNH2
SCHEMBL4796885 0.79 SLC2A1 (0.40) SLC2A1KCNH2
SCHEMBL17627903 0.79 KCNH2 (0.45) SLC2A1KCNH2HTR1ADRD2

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-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
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