SCHEMBL8899052

SCHEMBL8899052

CC(C)(C)OC(=O)N1CCN(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4cccc5ccccc45)CC3)nc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.55
NPY1R P25929 5/20 0.55
ADRA2A P08913 4/20 0.55
MCHR1 Q99705 4/20 0.55
AQP1 P29972 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
NPY2R P49146 1/20 0.55
NPY4R P50391 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
BCDIN3D Q7Z5W3 1/20 0.46
TGFBR1 P36897 2/20 0.45
ACACB O00763 1/20 0.44

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
SCHEMBL8899046 1.00 NPY5R (0.55) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL8901589 0.84 NPY5R (0.61) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL14606731 0.84 NPY5R (0.61) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL8901585 0.84 NPY5R (0.61) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL13796818 0.84 NPY5R (0.65) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL13795907 0.83 NPY5R (0.59) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL13796970 0.82 NPY5R (0.64) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL13795940 0.80 NPY5R (0.71) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL13795942 0.80 NPY5R (0.68) NPY5RNPY1RADRA2AMCHR1AQP1
SCHEMBL8899787 0.79 TGFBR1 (0.64) NPY5RNPY1RMAPTTGFBR1

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 2 patents. 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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed