SCHEMBL8911038

SCHEMBL8911038

CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 1.00
ADRA2A P08913 1/20 0.55
APP P05067 2/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
MERTK Q12866 1/20 0.48
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
WHR1 P49842 1/20 0.47

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
Hydrochloric Acid SCHEMBL8901600 0.99 NPY5R (0.98) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8889912 0.89 NPY5R (0.81) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8900185 0.89 NPY5R (0.80) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8900188 0.89 NPY5R (0.80) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8901842 0.86 NPY5R (1.00) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8901839 0.86 NPY5R (1.00) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8890906 0.86 NPY5R (0.75) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8890575 0.83 NPY5R (0.73) NPY5RADRA2AAPPBCHEACHE
SCHEMBL8911051 0.81 NPY5R (0.68) NPY5RAPPBCHEACHEMERTK
SCHEMBL8911032 0.81 NPY5R (0.68) 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 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