SCHEMBL8890792

SCHEMBL8890792

COc1ccc(Nc2nc(NC(C)c3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.71
▸ MERTK Q12866 5/20 0.70
▸ SLC2A1 P11166 1/20 0.63
▸ MAPT P10636 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ LMNA P02545 3/20 0.59
▸ KCNH3 Q9ULD8 2/20 0.58
▸ GRK6 P43250 1/20 0.55
▸ POLB P06746 2/20 0.53
▸ KDM1A O60341 1/20 0.53
▸ RAD52 P43351 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ HTT P42858 3/20 0.53

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
SCHEMBL8890775 1.00 NPY5R (0.71) NPY5RMERTKSLC2A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8889608 0.99 NPY5R (0.70) NPY5RMERTKSLC2A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8889616 0.99 NPY5R (0.70) NPY5RMERTKSLC2A1MAPTKMT2A
SCHEMBL2590796 0.85 NPY5R (0.97) NPY5RMERTKSLC2A1MAPTKMT2A
SCHEMBL8909187 0.83 NPY5R (1.00) NPY5RMERTKSLC2A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8897702 0.83 NPY5R (0.94) NPY5RMERTKSLC2A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8900478 0.82 NPY5R (0.97) NPY5RMERTKSLC2A1MAPTKMT2A
SCHEMBL16404473 0.81 NPY5R (0.89) NPY5RMERTKSLC2A1MAPTKMT2A
SCHEMBL8892916 0.79 NPY5R (0.85) NPY5RMERTKSLC2A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8898666 0.78 NPY5R (0.83) NPY5RMERTKSLC2A1MAPTKMT2A

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
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