SCHEMBL8890575

SCHEMBL8890575

CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.73
CAMK2D Q13557 2/20 0.47
SOS1 Q07889 1/20 0.45
MERTK Q12866 1/20 0.45
ADRA2A P08913 2/20 0.44
APP P05067 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL8900188 0.94 NPY5R (0.80) NPY5RMERTKADRA2AAPPBCHE
SCHEMBL8900185 0.94 NPY5R (0.80) NPY5RMERTKADRA2AAPPBCHE
SCHEMBL8911038 0.83 NPY5R (1.00) NPY5RMERTKADRA2AAPPBCHE
SCHEMBL8891621 0.83 NPY5R (1.00) NPY5RCAMK2DSOS1MERTKAPP
Hydrochloric Acid SCHEMBL8901600 0.82 NPY5R (0.98) NPY5RMERTKADRA2AAPPBCHE
SCHEMBL8890847 0.81 NPY5R (0.61) NPY5RMERTKADRA2AAPPBCHE
SCHEMBL8890851 0.81 NPY5R (0.61) NPY5RMERTKADRA2AAPPBCHE
SCHEMBL8890740 0.81 NPY5R (1.00) NPY5RCAMK2DMERTKADRA2AAPP
SCHEMBL8891244 0.80 NPY5R (1.00) NPY5RSOS1MERTKADRA2AAPP
SCHEMBL8891052 0.80 NPY5R (1.00) NPY5RCAMK2DMERTKADRA2AMCHR1

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