SCHEMBL8898282

SCHEMBL8898282

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.47
SLC6A4 P31645 2/20 0.47
AQP1 P29972 2/20 0.46
ADRA2A P08913 2/20 0.46
MCHR1 Q99705 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
APP P05067 1/20 0.44
PRKCQ Q04759 5/20 0.42
VCP P55072 3/20 0.42
TRIM58 Q8NG06 1/20 0.42

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
SCHEMBL8900660 0.85 ADRB2 (0.51) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL8898270 0.85 VCP (0.54) NPY5RSLC6A4VCP
SCHEMBL8900965 0.82 APP (0.47) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL2636281 0.82 NPY5R (0.64) NPY5RSLC6A4AQP1ADRA2AMCHR1
Hydrochloric Acid SCHEMBL2675360 0.81 NPY5R (0.62) NPY5RSLC6A4AQP1ADRA2AMCHR1
Hydrochloric Acid SCHEMBL8906965 0.81 NPY5R (0.62) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL8892683 0.75 NPY5R (0.60) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL8908378 0.72 NPY5R (0.64) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13793523 0.72 NPY5R (0.52) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13793569 0.72 NPY5R (0.52) NPY5RSLC6A4AQP1ADRA2AMCHR1

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