SCHEMBL8890197

SCHEMBL8890197

CN(C)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.48
ACP1 P24666 1/20 0.48
NPY5R Q15761 2/20 0.48
ADRA2A P08913 1/20 0.48
VCP P55072 9/20 0.47
TLR9 Q9NR96 1/20 0.47
TRIM58 Q8NG06 1/20 0.46
CSNK2A1 P68400 1/20 0.45
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
SMARCA2 P51531 1/20 0.45
APP P05067 1/20 0.45
ACHE P22303 1/20 0.45
TOP2A P11388 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
SCHEMBL8899135 0.94 TRIM58 (0.53) NPY5RADRA2AVCPTRIM58POLB
SCHEMBL8898697 0.90 VCP (0.46) NPY5RADRA2AVCPPOLBAPP
SCHEMBL8901739 0.88 TAAR1 (0.52) VCPPOLBRAD52APPACHE
SCHEMBL8898260 0.88 VCP (0.50) VCPAPPACHE
SCHEMBL8890072 0.87 POLB (0.51) NPY5RADRA2AVCPTRIM58POLB
SCHEMBL8888887 0.87 TLR9 (0.51) PDE5AACP1NPY5RADRA2ATLR9
SCHEMBL8898947 0.87 TLR9 (0.51) PDE5AACP1NPY5RADRA2ATLR9
SCHEMBL8898351 0.86 VCP (0.48) PDE5AVCPAPPACHE
SCHEMBL8889919 0.86 VCP (0.52) VCP
SCHEMBL8889077 0.85 VCP (0.47) VCPAPPACHE

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