SCHEMBL8898697

SCHEMBL8898697

CCN(CC)CCNc1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCP P55072 13/20 0.46
FLT3 P36888 3/20 0.45
ADRA2A P08913 1/20 0.44
NPY5R Q15761 1/20 0.44
APP P05067 1/20 0.44
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL8890072 0.94 POLB (0.51) VCPFLT3ADRA2ANPY5RPOLB
SCHEMBL8890197 0.90 PDE5A (0.48) VCPADRA2ANPY5RAPPACHE
SCHEMBL8898707 0.87 FLT3 (0.48) FLT3ADRA2ANPY5RAPPACHE
SCHEMBL8899135 0.87 TRIM58 (0.53) VCPFLT3ADRA2ANPY5RPOLB
SCHEMBL8898260 0.86 VCP (0.50) VCPAPPACHE
SCHEMBL8901739 0.86 TAAR1 (0.52) VCPAPPACHEPOLB
SCHEMBL8898351 0.85 VCP (0.48) VCPAPPACHE
SCHEMBL8899747 0.84 VCP (0.47) VCP
SCHEMBL8889919 0.84 VCP (0.52) VCP
SCHEMBL8889077 0.83 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 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