SCHEMBL8899460

SCHEMBL8899460

COc1ccc(Nc2nc(Nc3ccccc3)c3cccc(OC)c3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.70
MERTK Q12866 5/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC2A1 P11166 1/20 0.53
ABCG2 Q9UNQ0 2/20 0.52
LMNA P02545 1/20 0.52
KCNH3 Q9ULD8 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 SCHEMBL6039334 0.99 NPY5R (0.69) NPY5RMERTKMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6039207 0.99 NPY5R (0.69) NPY5RMERTKMEN1KMT2ANPC1
SCHEMBL8900176 0.87 NPY5R (0.53) NPY5RMERTKSLC2A1ABCG2
Hydrochloric Acid SCHEMBL8890869 0.86 NPY5R (0.52) NPY5RSLC2A1KCNH3
Hydrochloric Acid SCHEMBL8890876 0.85 ABCG2 (0.54) NPY5RMERTKSLC2A1ABCG2
SCHEMBL8890917 0.83 NPY5R (0.65) NPY5RMERTKMEN1KMT2ANPC1
SCHEMBL8909187 0.83 NPY5R (1.00) NPY5RMERTKMEN1KMT2ANPC1
SCHEMBL8900365 0.83 SLC2A1 (0.49) NPY5RMERTKMEN1KMT2ANPC1
SCHEMBL8900353 0.83 NPY5R (0.49) NPY5RMERTKMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL8889736 0.82 NPY5R (0.63) NPY5RMERTKMEN1KMT2ANPC1

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