SCHEMBL8892229

SCHEMBL8892229

Clc1ccc(Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.97
MAPT P10636 2/20 0.68
PDE5A O76074 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 1/20 0.68
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
RAB9A P51151 1/20 0.68
KMT2A Q03164 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
TP53 P04637 2/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
ALK Q9UM73 1/20 0.60
SLC2A1 P11166 1/20 0.57
HTR2A P28223 1/20 0.56

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
SCHEMBL8890555 0.98 NPY5R (1.00) NPY5RMAPTPDE5AABCG2KDM4E
Hydrochloric Acid SCHEMBL8890165 0.98 NPY5R (0.94) NPY5RMAPTPDE5AABCG2KDM4E
Hydrochloric Acid SCHEMBL8901136 0.97 NPY5R (0.97) NPY5RMAPTPDE5AABCG2KDM4E
SCHEMBL2587936 0.90 NPY5R (0.84) NPY5RMAPTPDE5AABCG2KDM4E
SCHEMBL2591063 0.88 NPY5R (1.00) NPY5RPDE5AABCG2MEN1NPC1
Hydrochloric Acid SCHEMBL6039677 0.86 NPY5R (0.96) NPY5RMAPTPDE5AABCG2KDM4E
SCHEMBL8901627 0.85 NPY5R (0.72) NPY5RMAPTPDE5AABCG2KDM4E
SCHEMBL2590759 0.85 NPY5R (0.76) NPY5RMAPTPDE5AABCG2KDM4E
SCHEMBL12176298 0.84 SLC2A1 (0.72) NPY5RMAPTPDE5AKDM4EMEN1
Hydrochloric Acid SCHEMBL7549537 0.84 NPY5R (0.79) NPY5RMAPTPDE5AKDM4EMEN1

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