SCHEMBL8906952

SCHEMBL8906952

CN(C)CC(C)(C)Nc1nc(NCC2CCC(C(N)=O)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.46
ADRA2A P08913 2/20 0.46
VCP P55072 16/20 0.45
MCHR1 Q99705 1/20 0.42

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
SCHEMBL8891478 0.88 VCP (0.49) VCP
SCHEMBL8906961 0.88 NPY5R (0.47) NPY5RADRA2AMCHR1
Hydrochloric Acid SCHEMBL8898939 0.88 VCP (0.48) VCP
SCHEMBL8890197 0.84 PDE5A (0.48) NPY5RADRA2AVCP
SCHEMBL8889919 0.83 VCP (0.52) VCP
SCHEMBL8899135 0.82 TRIM58 (0.53) NPY5RADRA2AVCPMCHR1
SCHEMBL8891157 0.80 NPY5R (0.54) NPY5RVCP
SCHEMBL3947713 0.80 ADRA2A (0.69) NPY5RADRA2AVCPMCHR1
SCHEMBL8901739 0.79 TAAR1 (0.52) VCP
SCHEMBL8898260 0.79 VCP (0.50) VCP

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