SCHEMBL8908629

SCHEMBL8908629

NCC1CCC(Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.71
APP P05067 2/20 0.57
BCHE P06276 2/20 0.57
ACHE P22303 2/20 0.57
MERTK Q12866 4/20 0.56
CFD P00746 1/20 0.51
WHR1 P49842 1/20 0.50

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 SCHEMBL8900289 0.99 NPY5R (0.70) NPY5RAPPBCHEACHEMERTK
Hydrochloric Acid SCHEMBL8896605 0.99 NPY5R (0.70) NPY5RAPPBCHEACHEMERTK
SCHEMBL3940588 0.86 BCHE (0.58) NPY5RAPPBCHEACHEMERTK
SCHEMBL3949263 0.86 BCHE (0.58) NPY5RAPPBCHEACHEMERTK
SCHEMBL8891166 0.85 NPY5R (0.56) NPY5RAPPMERTK
SCHEMBL8911051 0.83 NPY5R (0.68) NPY5RAPPBCHEACHEMERTK
SCHEMBL8911032 0.83 NPY5R (0.68) NPY5RAPPBCHEACHEMERTK
SCHEMBL8899277 0.83 NPY5R (1.00) NPY5RAPPBCHEACHEMERTK
Hydrochloric Acid SCHEMBL8901595 0.82 NPY5R (0.67) NPY5RAPPBCHEACHEMERTK
Hydrochloric Acid SCHEMBL8901613 0.82 NPY5R (0.67) NPY5RAPPBCHEACHEMERTK

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed