SCHEMBL8889922

SCHEMBL8889922

CNc1nc(NCC2CCC(CN)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.49
ADRA2A P08913 3/20 0.49
APP P05067 2/20 0.49
TLR7 Q9NYK1 1/20 0.49
SOS1 Q07889 1/20 0.47
TRIM58 Q8NG06 2/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
MCHR1 Q99705 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPY1R P25929 1/20 0.47
AQP1 P29972 1/20 0.47
NPY2R P49146 1/20 0.47
NPY4R P50391 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC6A4 P31645 2/20 0.45
RAD52 P43351 1/20 0.45
PDE5A O76074 1/20 0.45

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
SCHEMBL14606882 0.87 APP (0.61) NPY5RADRA2AAPPTLR7SOS1
SCHEMBL8891494 0.87 TLR7 (0.49) NPY5RADRA2AAPPTLR7SOS1
SCHEMBL8898278 0.86 SOS1 (0.52) NPY5RADRA2AAPPTLR7SOS1
SCHEMBL8891166 0.86 NPY5R (0.56) NPY5RAPPTLR7SOS1ALDH1A1
SCHEMBL13793523 0.86 NPY5R (0.52) NPY5RADRA2AAPPTLR7SOS1
SCHEMBL13793569 0.86 NPY5R (0.52) NPY5RADRA2AAPPTLR7SOS1
SCHEMBL3949263 0.85 BCHE (0.58) NPY5RAPPBCHEACHE
SCHEMBL3940588 0.85 BCHE (0.58) NPY5RAPPBCHEACHE
SCHEMBL8889919 0.85 VCP (0.52)
SCHEMBL8901747 0.84 TAAR1 (0.56) APPTLR7SOS1ALDH1A1MAPT

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