SCHEMBL8906282

SCHEMBL8906282

CNc1nc(NC[C@H]2CC[C@H](CS(=O)(=O)c3ccccc3)CC2)nc2ccc(-c3ccc(C)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 5/20 0.56
VCP P55072 7/20 0.46
NPY5R Q15761 5/20 0.42
ADRA2A P08913 2/20 0.41
SLC6A4 P31645 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
MCHR1 Q99705 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL8906810 0.89 TRIM58 (0.52) TRIM58VCPNPY5RADRA2ASLC6A4
SCHEMBL8904733 0.82 TRIM58 (0.56) TRIM58VCPNPY5RADRA2AEGLN1
SCHEMBL8891165 0.82 TRIM58 (0.55) TRIM58VCPHTR3A
SCHEMBL8910869 0.81 TRIM58 (0.55) TRIM58VCP
SCHEMBL8908523 0.80 TRIM58 (0.53) TRIM58VCPHTR3A
SCHEMBL8890942 0.78 VCP (0.48) TRIM58VCP
SCHEMBL13796772 0.77 NPY5R (0.68) NPY5RADRA2ASLC6A4MCHR1
SCHEMBL8900442 0.76 TRIM58 (0.48) TRIM58VCPNPY5RADRA2AMCHR1
SCHEMBL13796627 0.74 NPY5R (0.60) NPY5RADRA2ASLC6A4MCHR1
SCHEMBL8908526 0.71 TRIM58 (0.45) TRIM58HTR3A

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