SCHEMBL8901839

SCHEMBL8901839

Cc1ccc(S(=O)(=O)NCC2CCC(Nc3nc(Nc4ccccc4)c4ccccc4n3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 1.00
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A4 P31645 2/20 0.47
GBA1 P04062 1/20 0.46
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ADRA2A P08913 1/20 0.45
MCHR1 Q99705 1/20 0.45
MAPT P10636 1/20 0.44
HMOX1 P09601 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
SCHEMBL8901842 1.00 NPY5R (1.00) NPY5RMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL13796774 0.91 NPY5R (0.83) NPY5RMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL13796954 0.87 NPY5R (0.77) NPY5RMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL8911038 0.86 NPY5R (1.00) NPY5RAPPBCHEACHEADRA2A
Hydrochloric Acid SCHEMBL8901600 0.85 NPY5R (0.98) NPY5RAPPBCHEACHEADRA2A
SCHEMBL13796775 0.85 NPY5R (0.73) NPY5RMEN1ALDH1A1CYP2C9KMT2A
SCHEMBL8900185 0.84 NPY5R (0.80) NPY5RAPPBCHEACHEADRA2A
SCHEMBL8900188 0.84 NPY5R (0.80) NPY5RAPPBCHEACHEADRA2A
SCHEMBL13795839 0.83 NPY5R (0.71) NPY5RALDH1A1SLC6A4GBA1ADRA2A
SCHEMBL13796662 0.83 NPY5R (0.71) NPY5RMEN1ALDH1A1CYP2C9KMT2A

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 claimed