SCHEMBL8891632

SCHEMBL8891632

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.71
MERTK Q12866 5/20 0.48
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
APP P05067 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CFD P00746 1/20 0.45

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
SCHEMBL8891617 1.00 NPY5R (0.71) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8890729 0.89 NPY5R (0.72) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8890766 0.89 NPY5R (0.72) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8891254 0.84 NPY5R (0.68) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8891241 0.84 NPY5R (0.68) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8891621 0.83 NPY5R (1.00) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8891244 0.82 NPY5R (1.00) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8890740 0.81 NPY5R (1.00) NPY5RMERTKCTNNB1TCF7L2APP
SCHEMBL8900618 0.81 NPY5R (0.78) NPY5R
SCHEMBL8901648 0.81 NPY5R (0.78) NPY5R

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