SCHEMBL8897920

SCHEMBL8897920

CN(C)CCN(C)c1nc(NCC2CCC(CN)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.57
ADRA2A P08913 11/20 0.57
MCHR1 Q99705 11/20 0.52
AQP1 P29972 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A4 P31645 2/20 0.41
TRIM58 Q8NG06 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
APP P05067 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
SCHEMBL8907330 1.00 NPY5R (0.57) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL3946319 0.88 NPY5R (0.72) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL3946322 0.88 NPY5R (0.72) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL8897909 0.87 NPY5R (0.55) NPY5RADRA2AMCHR1
SCHEMBL8898947 0.83 TLR9 (0.51) NPY5RADRA2AMCHR1ALDH1A1TRIM58
SCHEMBL8907323 0.81 TRIM58 (0.57) NPY5RADRA2AALDH1A1TRIM58
SCHEMBL8899155 0.81 TRIM58 (0.57) NPY5RADRA2AALDH1A1TRIM58
SCHEMBL13793569 0.80 NPY5R (0.52) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13793523 0.80 NPY5R (0.52) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL3947114 0.78 NPY5R (0.72) 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 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