SCHEMBL7976637

SCHEMBL7976637

O=[N+]([O-])c1cccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.54
CYSLTR2 Q9NS75 3/20 0.54
LMNA P02545 1/20 0.54
GPBAR1 Q8TDU6 4/20 0.52
CYP1A2 P05177 1/20 0.52
PDE10A Q9Y233 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48

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
SCHEMBL5779125 0.87 CYSLTR1 (0.62) CYSLTR1CYSLTR2LMNAGPBAR1PDE10A
SCHEMBL2567854 0.85 LMNA (0.69) CYSLTR1CYSLTR2LMNAGPBAR1PDE10A
SCHEMBL7975209 0.80 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL26632677 0.79 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL26632681 0.78 CYSLTR1 (0.75) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL26774780 0.78 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL26632675 0.76 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL26771291 0.75 CYSLTR1 (0.75) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL13772898 0.75 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10ASMN1; SMN2
SCHEMBL13772899 0.75 PDE10A (0.73) CYSLTR1CYSLTR2GPBAR1PDE10A

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-6214842-B1 TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA TYPICALLY ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE; TREATING DIABETES TYPES I AND II WYETH 2001-04-10 US disclosed