SCHEMBL8901692

SCHEMBL8901692

CS(=O)(=O)NC[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.72
ADRA2A P08913 4/20 0.72
MCHR1 Q99705 4/20 0.72
AQP1 P29972 2/20 0.72
ALDH1A1 P00352 1/20 0.72
MAPT P10636 1/20 0.72
HPGD P15428 1/20 0.72
NPY1R P25929 1/20 0.72
NPY2R P49146 1/20 0.72
NPY4R P50391 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
SLC6A4 P31645 2/20 0.69
APP P05067 3/20 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
SCHEMBL8901686 1.00 NPY5R (0.72) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL8899805 0.99 NPY5R (0.71) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL8899807 0.99 NPY5R (0.71) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL8900726 0.87 NPY5R (0.81) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL8900731 0.87 NPY5R (0.81) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL8899675 0.86 NPY5R (0.69) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL8900603 0.86 NPY5R (0.81) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL8899670 0.86 NPY5R (0.69) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL8900606 0.86 NPY5R (0.81) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL8899149 0.85 NPY5R (0.68) NPY5RADRA2AMCHR1AQP1ALDH1A1

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