SCHEMBL13745016

SCHEMBL13745016

CCc1ccc(OC2CCOCC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.43
P2RX3 P56373 3/20 0.38
P2RX2 Q9UBL9 3/20 0.38
PDE4D Q08499 6/20 0.35
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE10A Q9Y233 2/20 0.35
SYK P43405 1/20 0.35
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
LRRK2 Q5S007 1/20 0.35
RET P07949 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL29549714 0.84 SLC5A2 (0.48) SLC5A2P2RX3P2RX2PDE4DPDE4A
SCHEMBL23554570 0.84 SLC5A2 (0.48) SLC5A2P2RX3P2RX2PDE4DPDE4A
SCHEMBL13750591 0.79 PDE9A (0.43) SLC5A2P2RX3P2RX2PDE10ASYK
SCHEMBL23530040 0.76 SLC5A2 (0.42) SLC5A2P2RX3P2RX2PDE4DPDE4A
SCHEMBL4029669 0.76 BCAT2 (0.40) SLC5A2PDE10ASYKKAT2BBAZ2B
SCHEMBL3299242 0.76 LRRK2 (0.37) SLC5A2SYKKAT2BBAZ2BLRRK2
SCHEMBL13730320 0.75 SYK (0.38) SLC5A2P2RX3P2RX2PDE4DPDE4A
SCHEMBL15829863 0.74 PDE10A (0.39) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL13662044 0.74 SCN9A (0.44) P2RX3SYKLRRK2RETHDAC6
SCHEMBL20216122 0.74 MBOAT4 (0.43) P2RX3P2RX2PDE4DPDE4APDE4B

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-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed