SCHEMBL8901783

SCHEMBL8901783

COc1ccc(Nc2nc(Nc3ccc(CNS(C)(=O)=O)cc3)nc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.69
SLC2A1 P11166 1/20 0.68
MERTK Q12866 5/20 0.61
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
APP P05067 1/20 0.51

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 SCHEMBL8889859 0.99 NPY5R (0.68) NPY5RSLC2A1MERTKMAPTMAPK1
SCHEMBL8899239 0.91 NPY5R (0.60) NPY5RSLC2A1MERTKMAPTMEN1
Hydrochloric Acid SCHEMBL8907685 0.90 NPY5R (0.59) NPY5RSLC2A1MERTKMAPTMEN1
Hydrochloric Acid SCHEMBL8912533 0.90 NPY5R (0.68) NPY5RSLC2A1
SCHEMBL2590796 0.84 NPY5R (0.97) NPY5RSLC2A1MERTKMAPTMAPK1
SCHEMBL8909187 0.83 NPY5R (1.00) NPY5RSLC2A1MERTKMAPTMAPK1
Hydrochloric Acid SCHEMBL8897702 0.83 NPY5R (0.94) NPY5RSLC2A1MERTKMAPTMAPK1
SCHEMBL8901142 0.82 NPY5R (0.51) NPY5RSLC2A1
SCHEMBL8889343 0.82 NPY5R (0.79) NPY5RSLC2A1MERTKMAPTMAPK1
Hydrochloric Acid SCHEMBL8900478 0.82 NPY5R (0.97) NPY5RSLC2A1MERTKMAPTMAPK1

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