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Sugi Predict / Compounds / SCHEMBL8891244

SCHEMBL8891244

SCHEMBL8891244

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 11/20 1.00
▸ CTNNB1 P35222 4/20 0.52
▸ TCF7L2 Q9NQB0 4/20 0.52
▸ MERTK Q12866 1/20 0.49
▸ SOS1 Q07889 1/20 0.46
▸ ADRA2A P08913 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ APP P05067 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ PDE5A O76074 1/20 0.45
▸ ABCG2 Q9UNQ0 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
SCHEMBL8891621 0.90 NPY5R (1.00) NPY5RCTNNB1TCF7L2MERTKSOS1
SCHEMBL8892081 0.86 NPY5R (0.76) NPY5RCTNNB1TCF7L2MERTKADRA2A
SCHEMBL8900618 0.85 NPY5R (0.78) NPY5R
SCHEMBL8901648 0.85 NPY5R (0.78) NPY5R
SCHEMBL8891052 0.83 NPY5R (1.00) NPY5RCTNNB1TCF7L2MERTKADRA2A
SCHEMBL8891617 0.82 NPY5R (0.71) NPY5RCTNNB1TCF7L2MERTKAPP
SCHEMBL8891632 0.82 NPY5R (0.71) NPY5RCTNNB1TCF7L2MERTKAPP
SCHEMBL13797103 0.81 NPY5R (0.69) NPY5RADRA2AMCHR1
SCHEMBL8890729 0.81 NPY5R (0.72) NPY5RCTNNB1TCF7L2MERTKAPP
SCHEMBL8890766 0.81 NPY5R (0.72) 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 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