SCHEMBL8890983

SCHEMBL8890983

NCC1CCC(CNc2nc(NC(CO)CO)c3ccccc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.45
APP P05067 1/20 0.45
TLR8 Q9NR97 2/20 0.44
SOS1 Q07889 2/20 0.44
TRIM58 Q8NG06 1/20 0.43
NPY5R Q15761 5/20 0.43
ADRA2A P08913 2/20 0.43
AQP1 P29972 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPY4R P50391 1/20 0.43
MCHR1 Q99705 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKCQ Q04759 3/20 0.42
SLC6A4 P31645 2/20 0.42
PDE5A O76074 2/20 0.41
RAD52 P43351 1/20 0.40

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
SCHEMBL8890965 0.87 VCP (0.48)
SCHEMBL8901747 0.84 TAAR1 (0.56) TLR7APPSOS1ALDH1A1MAPT
SCHEMBL8889922 0.82 NPY5R (0.49) TLR7APPSOS1TRIM58NPY5R
SCHEMBL8891166 0.81 NPY5R (0.56) TLR7APPSOS1NPY5RALDH1A1
SCHEMBL8898278 0.81 SOS1 (0.52) TLR7APPSOS1TRIM58NPY5R
SCHEMBL8891494 0.80 TLR7 (0.49) TLR7APPSOS1TRIM58NPY5R
SCHEMBL2636281 0.78 NPY5R (0.64) APPNPY5RADRA2AAQP1ALDH1A1
SCHEMBL13793569 0.78 NPY5R (0.52) TLR7APPSOS1TRIM58NPY5R
SCHEMBL13793523 0.78 NPY5R (0.52) TLR7APPSOS1TRIM58NPY5R
Hydrochloric Acid SCHEMBL8906965 0.77 NPY5R (0.62) APPNPY5RADRA2AAQP1ALDH1A1

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