SCHEMBL8891387

SCHEMBL8891387

CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3cccc(COC)c3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.69
MERTK Q12866 3/20 0.38
SLC2A1 P11166 2/20 0.38
KCNH3 Q9ULD8 1/20 0.37

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 SCHEMBL8890265 0.99 NPY5R (0.67) NPY5RMERTKSLC2A1KCNH3
SCHEMBL8891826 0.86 NPY5R (0.71) NPY5RMERTKSLC2A1
Hydrochloric Acid SCHEMBL8889262 0.85 NPY5R (0.70) NPY5RMERTKSLC2A1KCNH3
SCHEMBL8890917 0.83 NPY5R (0.65) NPY5RMERTKSLC2A1KCNH3
Hydrochloric Acid SCHEMBL8889736 0.82 NPY5R (0.63) NPY5RMERTKSLC2A1KCNH3
SCHEMBL8901519 0.82 NPY5R (1.00) NPY5RMERTKSLC2A1
Hydrochloric Acid SCHEMBL8890820 0.81 NPY5R (0.98) NPY5RMERTKSLC2A1
SCHEMBL8891393 0.76 SLC2A1 (0.45) NPY5RSLC2A1
SCHEMBL8891429 0.76 NPY5R (0.72) NPY5R
Hydrochloric Acid SCHEMBL8890271 0.76 SLC2A1 (0.47) NPY5RSLC2A1

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