SCHEMBL8890734

SCHEMBL8890734

Oc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.81
GAA P10253 5/20 0.69
MAPT P10636 3/20 0.69
RECQL P46063 2/20 0.69
TAAR1 Q96RJ0 2/20 0.69
BLM P54132 1/20 0.69
MERTK Q12866 1/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
ABCG2 Q9UNQ0 2/20 0.67
POLB P06746 4/20 0.62
NTRK1 P04629 1/20 0.62
ALK Q9UM73 1/20 0.62
HTT P42858 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SLC2A1 P11166 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GBA1 P04062 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 SCHEMBL8889510 0.98 NPY5R (0.79) NPY5RGAAMAPTRECQLTAAR1
SCHEMBL2591063 0.90 NPY5R (1.00) NPY5RTAAR1MERTKMEN1KMT2A
Hydrochloric Acid SCHEMBL6039677 0.89 NPY5R (0.96) NPY5RMAPTTAAR1MEN1KMT2A
SCHEMBL8892916 0.88 NPY5R (0.85) NPY5RGAAMAPTRECQLTAAR1
Hydrochloric Acid SCHEMBL8898666 0.87 NPY5R (0.83) NPY5RGAAMAPTRECQLTAAR1
SCHEMBL8901062 0.86 NPY5R (0.84) NPY5RTAAR1MEN1KMT2AABCG2
SCHEMBL8898077 0.86 NPY5R (0.84) NPY5RMAPTMERTKMEN1KMT2A
SCHEMBL8891079 0.85 NPY5R (0.72) NPY5RMAPTTAAR1MERTKMEN1
Hydrochloric Acid SCHEMBL8900449 0.84 NPY5R (0.81) NPY5RMAPTTAAR1MERTKMEN1
Hydrochloric Acid SCHEMBL8898758 0.84 NPY5R (0.81) NPY5RMAPTTAAR1MERTKKMT2A

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