SCHEMBL8873139

SCHEMBL8873139

O=c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2nc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 15/20 0.50
▸ CACNA1C Q13936 5/20 0.50
▸ CACNA1B Q00975 5/20 0.50
▸ CACNA1G O43497 5/20 0.48
▸ EGLN1 Q9GZT9 3/20 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
SCHEMBL8873051 0.75 CACNA1H (0.49) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL20623233 0.75 CACNA1H (0.62) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL8264508 0.73 CACNA1H (0.60) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL8873274 0.71 CACNA1H (0.48) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL8873082 0.71 KMT2A (0.41) EGLN1
SCHEMBL10284440 0.71 CACNA1H (0.63) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL8855614 0.70 MAPT (0.52) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL8855454 0.70 ALDH1A1 (0.43) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL8872735 0.70 CACNA1H (0.60) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1
SCHEMBL30822917 0.70 CACNA1H (0.60) CACNA1HCACNA1CCACNA1BCACNA1GEGLN1

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
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 claimed
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
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