SCHEMBL8892916

SCHEMBL8892916

COc1ccc(Nc2nc(Nc3ccc(O)cc3)nc3ccccc23)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.85
MERTK Q12866 5/20 0.74
SLC2A1 P11166 1/20 0.67
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 3/20 0.66
MAPK1 P28482 2/20 0.66
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 1/20 0.66
TP53 P04637 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ATM Q13315 1/20 0.63
ABCG2 Q9UNQ0 2/20 0.63
LMNA P02545 1/20 0.63
PIN1 Q13526 1/20 0.60
PTGS2 P35354 1/20 0.59
GAA P10253 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59

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 SCHEMBL8898666 0.99 NPY5R (0.83) NPY5RMERTKSLC2A1MEN1KMT2A
SCHEMBL2590796 0.93 NPY5R (0.97) NPY5RMERTKSLC2A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8897702 0.92 NPY5R (0.94) NPY5RMERTKSLC2A1MEN1KMT2A
SCHEMBL8909187 0.92 NPY5R (1.00) NPY5RMERTKSLC2A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8900478 0.91 NPY5R (0.97) NPY5RMERTKSLC2A1MEN1KMT2A
SCHEMBL16404473 0.89 NPY5R (0.89) NPY5RMERTKSLC2A1MEN1KMT2A
SCHEMBL8891079 0.89 NPY5R (0.72) NPY5RMERTKMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8898320 0.88 NPY5R (0.70) NPY5RMERTKMEN1KMT2AMAPT
SCHEMBL8890734 0.88 NPY5R (0.81) NPY5RMERTKSLC2A1MEN1KMT2A
SCHEMBL8899542 0.88 NPY5R (0.69) NPY5RMERTKSLC2A1MEN1KMT2A

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