SCHEMBL8892672

SCHEMBL8892672

NC(=O)C1CCC(CNc2nc(N)c3ccccc3n2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.56
AQP1 P29972 2/20 0.56
ADRA2A P08913 2/20 0.56
MCHR1 Q99705 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
NPY4R P50391 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLC6A4 P31645 2/20 0.54
VCP P55072 6/20 0.49
APP P05067 5/20 0.49

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
SCHEMBL8890247 0.93 NPY5R (0.61) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL2636279 0.93 NPY5R (0.61) NPY5RAQP1ADRA2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL2675355 0.92 NPY5R (0.60) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8892683 0.82 NPY5R (0.60) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8908378 0.79 NPY5R (0.64) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL2636281 0.79 NPY5R (0.64) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8889919 0.79 VCP (0.52) VCP
Hydrochloric Acid SCHEMBL2675360 0.78 NPY5R (0.62) NPY5RAQP1ADRA2AMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL8906965 0.78 NPY5R (0.62) NPY5RAQP1ADRA2AMCHR1ALDH1A1
SCHEMBL8899497 0.78 NPY5R (0.62) NPY5RAQP1ADRA2AMCHR1ALDH1A1

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 disclosed