SCHEMBL8901519

SCHEMBL8901519

CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 1.00
MERTK Q12866 2/20 0.54
SLC2A1 P11166 2/20 0.52
PIN1 Q13526 1/20 0.49

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 SCHEMBL8890820 0.99 NPY5R (0.98) NPY5RMERTKSLC2A1PIN1
SCHEMBL8890685 0.92 NPY5R (0.84) NPY5RMERTKSLC2A1
Hydrochloric Acid SCHEMBL8890333 0.91 NPY5R (0.83) NPY5RMERTKSLC2A1
SCHEMBL8890714 0.87 NPY5R (0.77) NPY5RMERTKSLC2A1PIN1
SCHEMBL8898853 0.86 NPY5R (1.00) NPY5RMERTKSLC2A1PIN1
Hydrochloric Acid SCHEMBL6038996 0.86 NPY5R (0.75) NPY5RMERTKSLC2A1PIN1
SCHEMBL8890343 0.85 NPY5R (0.73) NPY5RMERTKSLC2A1
Hydrochloric Acid SCHEMBL8900633 0.85 NPY5R (0.98) NPY5RMERTKSLC2A1PIN1
Hydrochloric Acid SCHEMBL8889231 0.84 NPY5R (0.72) NPY5RMERTKSLC2A1
SCHEMBL8891826 0.83 NPY5R (0.71) NPY5RMERTKSLC2A1

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed