SCHEMBL7913480

SCHEMBL7913480

COc1ccc(C2CN(C)C(=O)CO2)cc1OCCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
FAAH O00519 2/20 0.37
S1PR5 Q9H228 4/20 0.37
HTR6 P50406 1/20 0.37
SMPD1 P17405 1/20 0.37
MAPK1 P28482 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6585371 0.83 FAAH (0.41) SLC6A4HCRTR1HCRTR2FAAHS1PR5
SCHEMBL7914395 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL7913482 0.82 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7913460 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7919822 0.79 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7916316 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7906247 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6584230 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL7916035 0.77 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7916410 0.77 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed