SCHEMBL8890740

SCHEMBL8890740

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 1.00
CAMK2D Q13557 2/20 0.48
CTNNB1 P35222 3/20 0.47
TCF7L2 Q9NQB0 3/20 0.47
MERTK Q12866 2/20 0.46
ADRA2A P08913 1/20 0.45
MCHR1 Q99705 1/20 0.45
APP P05067 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL8891052 0.91 NPY5R (1.00) NPY5RCAMK2DCTNNB1TCF7L2MERTK
SCHEMBL8891621 0.85 NPY5R (1.00) NPY5RCAMK2DCTNNB1TCF7L2MERTK
SCHEMBL8890729 0.82 NPY5R (0.72) NPY5RCAMK2DCTNNB1TCF7L2MERTK
SCHEMBL8890766 0.82 NPY5R (0.72) NPY5RCAMK2DCTNNB1TCF7L2MERTK
SCHEMBL8891617 0.81 NPY5R (0.71) NPY5RCTNNB1TCF7L2MERTKAPP
SCHEMBL8891632 0.81 NPY5R (0.71) NPY5RCTNNB1TCF7L2MERTKAPP
SCHEMBL8890575 0.81 NPY5R (0.73) NPY5RCAMK2DMERTKADRA2AMCHR1
SCHEMBL8891244 0.81 NPY5R (1.00) NPY5RCTNNB1TCF7L2MERTKADRA2A
SCHEMBL8891045 0.80 NPY5R (0.68) NPY5RCTNNB1TCF7L2MERTKAPP
SCHEMBL8891065 0.80 NPY5R (0.68) NPY5RCTNNB1TCF7L2MERTKAPP

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