SCHEMBL1663013

SCHEMBL1663013

CC(C)(C)OC(=O)N1CCN(c2ccccc2Cl)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.56
RBP4 P02753 1/20 0.53
CYBB P04839 1/20 0.50
NOX5 Q96PH1 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.45
POLB P06746 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
SCHEMBL7535800 0.86 SMARCA2 (0.49) P2RX7MAPK1
SCHEMBL3653185 0.86 P2RX7 (0.55) P2RX7MAPK1
SCHEMBL2604326 0.85 PDE4B (0.44) P2RX7CYBBNOX5NOX4NOX1
SCHEMBL1583488 0.85 MEN1 (0.51) P2RX7MEN1KMT2AMAPK1
SCHEMBL30734152 0.85 MEN1 (0.51) P2RX7MEN1KMT2AMAPK1
SCHEMBL2889100 0.83 MEN1 (0.45) P2RX7RBP4CYBBNOX5NOX4
SCHEMBL2604325 0.83 MAPK1 (0.44) P2RX7MAPK1POLB
SCHEMBL30208139 0.83 MEN1 (0.56) MEN1KMT2APOLB
SCHEMBL14852499 0.83 MEN1 (0.56) MEN1KMT2APOLB
SCHEMBL1662873 0.82 P2RX7 (0.47) P2RX7RBP4

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed