SCHEMBL13114366

SCHEMBL13114366

Clc1cnc2c(c1)OCCN2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
ALOX5AP P20292 14/20 0.41
FEN1 P39748 14/20 0.41
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IMPDH2 P12268 1/20 0.34
RET P07949 1/20 0.33

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
SCHEMBL29578601 0.81 GRM5 (0.36) GRM5
SCHEMBL30657929 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL18307148 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL91447 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL12462535 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL858890 0.79 GRM5 (0.54) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL14376061 0.76 GRM5 (0.67) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL15915467 0.75 FEN1 (0.60) GRM5ALOX5APFEN1
SCHEMBL84582 0.75 GRM5 (0.50) GRM5ALOX5APFEN1ALDH1A1GAA
SCHEMBL21605734 0.75 GRM5 (0.50) GRM5ALOX5APFEN1ALDH1A1HSD17B10

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-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP disclosed
WO-2010043714-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-22 WO disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed