SCHEMBL8890600

SCHEMBL8890600

N#CC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.60
NPY1R P25929 4/20 0.60
ALDH1A1 P00352 1/20 0.57
ADRA2A P08913 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
AQP1 P29972 1/20 0.57
NPY2R P49146 1/20 0.57
NPY4R P50391 1/20 0.57
MCHR1 Q99705 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CNR1 P21554 1/20 0.49
PREP P48147 1/20 0.49
TBXA2R P21731 1/20 0.48
GBA1 P04062 2/20 0.48
NSD2 O96028 2/20 0.47

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
SCHEMBL14606719 0.83 NPY5R (0.64) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL5126972 0.83 NPY5R (0.64) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL5774740 0.83 NPY5R (0.64) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL8898328 0.81 NPY5R (0.62) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL13543086 0.81 NPY5R (0.61) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL4007555 0.80 NPY5R (0.67) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL4390192 0.80 NPY5R (0.67) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL8888802 0.80 NPY5R (0.64) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL13796481 0.79 NPY5R (0.62) NPY5RNPY1RALDH1A1ADRA2AMAPT
SCHEMBL8898918 0.79 NPY5R (0.62) NPY5RNPY1RALDH1A1ADRA2AMAPT

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