SCHEMBL8898077

SCHEMBL8898077

Fc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.84
MERTK Q12866 2/20 0.71
ABCG2 Q9UNQ0 2/20 0.68
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
MAPK1 P28482 2/20 0.62
KMT2A Q03164 2/20 0.62
XBP1 P17861 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SLC2A1 P11166 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.59
PDE5A O76074 1/20 0.58

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 SCHEMBL8898758 0.98 NPY5R (0.81) NPY5RMERTKABCG2KDM4EMAPT
SCHEMBL2591063 0.92 NPY5R (1.00) NPY5RMERTKABCG2MAPK1KMT2A
Hydrochloric Acid SCHEMBL6039677 0.90 NPY5R (0.96) NPY5RABCG2KDM4EMAPTMAPK1
SCHEMBL8901062 0.87 NPY5R (0.84) NPY5RABCG2KMT2ASLC2A1CYP1A2
SCHEMBL8890734 0.86 NPY5R (0.81) NPY5RMERTKABCG2MAPTKMT2A
Hydrochloric Acid SCHEMBL8900034 0.86 NPY5R (0.81) NPY5RABCG2MAPK1KMT2ASLC2A1
SCHEMBL8890945 0.86 NPY5R (1.00) NPY5RABCG2KDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL8900449 0.86 NPY5R (0.81) NPY5RMERTKKDM4EMAPTMAPK1
SCHEMBL8890555 0.86 NPY5R (1.00) NPY5RABCG2KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL8901136 0.84 NPY5R (0.97) NPY5RABCG2KDM4EMAPTMAPK1

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