SCHEMBL8898897

SCHEMBL8898897

Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.75
ADRA2A P08913 5/20 0.75
MCHR1 Q99705 4/20 0.75
NPY1R P25929 3/20 0.75
AQP1 P29972 2/20 0.75
ALDH1A1 P00352 1/20 0.75
MAPT P10636 1/20 0.75
HPGD P15428 1/20 0.75
NPY2R P49146 1/20 0.75
NPY4R P50391 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
SLC6A4 P31645 2/20 0.65
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49

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
SCHEMBL13796942 0.89 NPY5R (0.60) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796988 0.89 NPY5R (0.59) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796530 0.87 NPY5R (0.57) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796975 0.86 NPY5R (0.57) NPY5RADRA2AMCHR1NPY1RAQP1
Cgp-71683A SCHEMBL29430173 0.86 NPY5R (1.00) NPY5RADRA2AMCHR1NPY1RAQP1
Cgp-71683A SCHEMBL30480660 0.86 NPY5R (1.00) NPY5RADRA2AMCHR1NPY1RAQP1
Cgp-71683A SCHEMBL326665 0.86 NPY5R (1.00) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL14606897 0.86 NPY5R (0.56) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796919 0.86 NPY5R (0.56) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796626 0.86 NPY5R (0.56) NPY5RADRA2AMCHR1NPY1RAQP1

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