SCHEMBL8900523

SCHEMBL8900523

COc1cccc2c(Nc3ccc(F)cc3)nc(Nc3ccc(CCO)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NPY5R Q15761 3/20 0.42
MERTK Q12866 2/20 0.42
RAD52 P43351 1/20 0.42
SLC2A1 P11166 1/20 0.41
KCNH3 Q9ULD8 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL8889981 0.87 MERTK (0.48) NPY5RMERTKRAD52KCNH3
SCHEMBL8900176 0.81 NPY5R (0.53) NPY5RMERTKSLC2A1ABCG2
Hydrochloric Acid SCHEMBL8890869 0.80 NPY5R (0.52) NPY5RSLC2A1KCNH3
SCHEMBL8891253 0.80 SYK (0.51) TP53MAPTNPY5RKCNH3
SCHEMBL8900365 0.77 SLC2A1 (0.49) TP53MAPTNPY5RMERTKSLC2A1
SCHEMBL8899460 0.77 NPY5R (0.70) TP53MAPTNPY5RMERTKSLC2A1
SCHEMBL8891826 0.77 NPY5R (0.71) NPY5RMERTKSLC2A1
Hydrochloric Acid SCHEMBL6039207 0.76 NPY5R (0.69) TP53MAPTNPY5RMERTKSLC2A1
Hydrochloric Acid SCHEMBL6039334 0.76 NPY5R (0.69) TP53MAPTNPY5RMERTKSLC2A1
SCHEMBL8889361 0.76 KDM4E (0.70) MAPTNPY5RMERTKSLC2A1MEN1

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