SCHEMBL8873016

SCHEMBL8873016

Oc1nc2c(Cl)c(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 6/20 0.51
EGLN1 Q9GZT9 2/20 0.44
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 3/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CASP1 P29466 1/20 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
SCHEMBL7043130 0.79 RHEB (0.54) RHEBEGLN1GRIN2DGRIN3BGRIN1
SCHEMBL8872713 0.77 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7044417 0.76 RHEB (0.51) RHEBEGLN1GRIN2DGRIN3BGRIN1
SCHEMBL8186337 0.76 RHEB (0.51) RHEBEGLN1GRIN2DGRIN3BGRIN1
SCHEMBL8872820 0.76 HTT (0.61) EGLN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29000492 0.73 GRIN2D (0.52) RHEBEGLN1GRIN2DGRIN3BGRIN1
SCHEMBL9865737 0.72 RHEB (0.47) RHEBEGLN1HPGDHSD17B10HTT
SCHEMBL7393275 0.71 GAA (0.53) RHEBEGLN1GRIN2DGRIN3BGRIN1
SCHEMBL7209326 0.68 RHEB (0.44) RHEBEGLN1GRIN2DGRIN3BGRIN1
SCHEMBL8873028 0.68 GRIN2D (0.37) RHEBGRIN2DGRIN3BGRIN1GRIN2A

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
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed