SCHEMBL8890917

SCHEMBL8890917

COCc1cccc2c(Nc3ccccc3)nc(Nc3ccc(OC)cc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.65
MERTK Q12866 5/20 0.54
SLC2A1 P11166 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
KCNH3 Q9ULD8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.48
LMNA P02545 1/20 0.48
PTGS2 P35354 1/20 0.46
KDM1A O60341 1/20 0.45
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
GFER P55789 1/20 0.45

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 SCHEMBL8889736 0.99 NPY5R (0.63) NPY5RMERTKSLC2A1KMT2AMEN1
SCHEMBL8899460 0.83 NPY5R (0.70) NPY5RMERTKSLC2A1KMT2AMEN1
SCHEMBL8891387 0.83 NPY5R (0.69) NPY5RMERTKSLC2A1KCNH3
Hydrochloric Acid SCHEMBL6039207 0.82 NPY5R (0.69) NPY5RMERTKSLC2A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6039334 0.82 NPY5R (0.69) NPY5RMERTKSLC2A1KMT2AMEN1
Hydrochloric Acid SCHEMBL8890265 0.82 NPY5R (0.67) NPY5RMERTKSLC2A1KCNH3
SCHEMBL8888229 0.80 EGFR (0.40) NPY5RSLC2A1KMT2AMEN1MAPT
SCHEMBL8909187 0.79 NPY5R (1.00) NPY5RMERTKSLC2A1KMT2AMEN1
Hydrochloric Acid SCHEMBL8900478 0.78 NPY5R (0.97) NPY5RMERTKSLC2A1KMT2AMEN1
SCHEMBL2590796 0.78 NPY5R (0.97) NPY5RMERTKSLC2A1KMT2AMEN1

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