SCHEMBL8874281

SCHEMBL8874281

O=c1[nH]c2cc(Cl)c(Cl)c(Cl)c2c([N+](=O)[O-])c1O

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 15/20 0.78
GRIN3B O60391 15/20 0.78
GRIN1 Q05586 15/20 0.78
GRIN2A Q12879 15/20 0.78
GRIN2B Q13224 15/20 0.78
GRIN2C Q14957 15/20 0.78
GRIN3A Q8TCU5 15/20 0.78
TSHR P16473 1/20 0.44

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
SCHEMBL8872267 0.93 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872250 0.91 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896128 0.88 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873204 0.87 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872775 0.85 GRIN2D (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872981 0.84 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896119 0.84 GRIN2D (0.86) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873780 0.81 GRIN2D (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896945 0.81 GRIN2D (0.86) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871930 0.78 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 1 patent. 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