SCHEMBL8901142

SCHEMBL8901142

COc1cccc2c(Nc3ccccc3)nc(Nc3ccc(CNS(C)(=O)=O)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.51
SLC2A1 P11166 1/20 0.45
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL8900176 0.85 NPY5R (0.53) NPY5RSLC2A1AURKAAURKB
SCHEMBL8891826 0.84 NPY5R (0.71) NPY5RSLC2A1AURKAAURKB
SCHEMBL8899239 0.84 NPY5R (0.60) NPY5RSLC2A1
Hydrochloric Acid SCHEMBL8890869 0.84 NPY5R (0.52) NPY5RSLC2A1AURKAAURKB
SCHEMBL8899654 0.84 NPY5R (0.56) NPY5RSLC2A1AURKAAURKB
SCHEMBL8890967 0.84 NPY5R (0.74) NPY5RAURKAAURKB
Hydrochloric Acid SCHEMBL8889262 0.84 NPY5R (0.70) NPY5RSLC2A1
Hydrochloric Acid SCHEMBL8907685 0.84 NPY5R (0.59) NPY5RSLC2A1
SCHEMBL8889844 0.83 NPY5R (0.48) NPY5RSLC2A1
Hydrochloric Acid SCHEMBL8900310 0.83 NPY5R (0.72) NPY5RAURKAAURKB

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
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed