SCHEMBL8873028

SCHEMBL8873028

Oc1nc2cc(Cl)c(Cl)c(Cl)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 5/20 0.37
HSD17B10 Q99714 5/20 0.37
TSHR P16473 4/20 0.37
CYP3A4 P08684 3/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CASP1 P29466 1/20 0.34
AKR1B1 P15121 1/20 0.32
MAPK13 O15264 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL28400712 0.86 HPGD (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7043132 0.79 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31730671 0.79 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872719 0.77 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7044422 0.76 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8186343 0.76 HTR3E (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872830 0.76 ALDH1A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9865741 0.72 HPGD (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7393275 0.71 GAA (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873016 0.68 RHEB (0.51) 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 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