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SCHEMBL8891052

SCHEMBL8891052

CN(C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 11/20 1.00
▸ ADRA2A P08913 4/20 0.47
▸ MCHR1 Q99705 4/20 0.47
▸ MERTK Q12866 2/20 0.47
▸ CAMK2D Q13557 2/20 0.47
▸ CTNNB1 P35222 1/20 0.46
▸ TCF7L2 Q9NQB0 1/20 0.46

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
SCHEMBL8890740 0.91 NPY5R (1.00) NPY5RADRA2AMCHR1MERTKCAMK2D
SCHEMBL8891244 0.83 NPY5R (1.00) NPY5RADRA2AMCHR1MERTKCTNNB1
SCHEMBL8891621 0.82 NPY5R (1.00) NPY5RMERTKCAMK2DCTNNB1TCF7L2
SCHEMBL8890729 0.80 NPY5R (0.72) NPY5RMERTKCAMK2DCTNNB1TCF7L2
SCHEMBL8890766 0.80 NPY5R (0.72) NPY5RMERTKCAMK2DCTNNB1TCF7L2
SCHEMBL8891632 0.80 NPY5R (0.71) NPY5RMERTKCTNNB1TCF7L2
SCHEMBL8891617 0.80 NPY5R (0.71) NPY5RMERTKCTNNB1TCF7L2
SCHEMBL8890575 0.80 NPY5R (0.73) NPY5RADRA2AMCHR1MERTKCAMK2D
SCHEMBL8891045 0.78 NPY5R (0.68) NPY5RMERTKCTNNB1TCF7L2
SCHEMBL8891065 0.78 NPY5R (0.68) NPY5RMERTKCTNNB1TCF7L2

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