SCHEMBL8900660

SCHEMBL8900660

NCC1CCC(CNc2nc(N)c3cc(Br)ccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
NPY5R Q15761 10/20 0.50
ADRA2A P08913 5/20 0.50
MCHR1 Q99705 5/20 0.50
SLC6A4 P31645 2/20 0.47
AQP1 P29972 2/20 0.46
NPY1R P25929 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPY2R P49146 1/20 0.46
NPY4R P50391 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
APP P05067 2/20 0.44
TRIM58 Q8NG06 1/20 0.44
PRKCQ Q04759 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8898282 0.85 NPY5R (0.47) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL8900652 0.85 VCP (0.49) ADRB2NPY5RADRA2AMCHR1SLC6A4
SCHEMBL8900965 0.82 APP (0.47) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL2636281 0.82 NPY5R (0.64) NPY5RADRA2AMCHR1SLC6A4AQP1
Hydrochloric Acid SCHEMBL8906965 0.81 NPY5R (0.62) NPY5RADRA2AMCHR1SLC6A4AQP1
Hydrochloric Acid SCHEMBL2675360 0.81 NPY5R (0.62) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL8919888 0.76 NPY5R (0.61) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL8892683 0.75 NPY5R (0.60) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL8908378 0.72 NPY5R (0.64) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13793523 0.72 NPY5R (0.52) NPY5RADRA2AMCHR1SLC6A4AQP1

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