SCHEMBL8890906

SCHEMBL8890906

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

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.75
ADRA2A P08913 1/20 0.43
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL8890847 0.91 NPY5R (0.61) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8890851 0.91 NPY5R (0.61) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8911038 0.86 NPY5R (1.00) NPY5RADRA2AAPPBCHEACHE
Hydrochloric Acid SCHEMBL8901600 0.85 NPY5R (0.98) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8890903 0.85 NPY5R (0.53) NPY5RAPPBCHEACHE
SCHEMBL8890913 0.85 NPY5R (0.53) NPY5RAPPBCHEACHE
SCHEMBL8890845 0.84 NPY5R (0.52) NPY5RAPPBCHEACHE
SCHEMBL8901670 0.82 NPY5R (0.65) NPY5R
Hydrochloric Acid SCHEMBL8892514 0.81 NPY5R (0.64) NPY5R
SCHEMBL8894046 0.80 NPY5R (0.49) NPY5RAPPBCHEACHE

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