SCHEMBL8894046

SCHEMBL8894046

COc1cccc2c(Nc3ccccc3)nc(N[C@H]3CC[C@H](CC(OC)C(N)=O)CC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.49
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
APP P05067 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CSNK2A1 P68400 1/20 0.40
CDK1 P06493 1/20 0.39
MERTK Q12866 1/20 0.38

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
SCHEMBL8894037 1.00 NPY5R (0.49) NPY5RMAPK8MAPK9APPBCHE
SCHEMBL8889690 0.88 NPY5R (0.61) NPY5RMAPK8MAPK9APPBCHE
SCHEMBL8889713 0.88 NPY5R (0.61) NPY5RMAPK8MAPK9APPBCHE
SCHEMBL8890903 0.81 NPY5R (0.53) NPY5RAPPBCHEACHECDK1
SCHEMBL8890913 0.81 NPY5R (0.53) NPY5RAPPBCHEACHECDK1
SCHEMBL8890906 0.80 NPY5R (0.75) NPY5RAPPBCHEACHE
Hydrochloric Acid SCHEMBL8892514 0.80 NPY5R (0.64) NPY5RMAPK8MAPK9MERTK
SCHEMBL8901670 0.79 NPY5R (0.65) NPY5RMAPK8MAPK9MERTK
SCHEMBL8890847 0.79 NPY5R (0.61) NPY5RAPPBCHEACHEMERTK
SCHEMBL8890851 0.79 NPY5R (0.61) NPY5RAPPBCHEACHEMERTK

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed