SCHEMBL6584136

SCHEMBL6584136

COc1ccc(C2CCN(C)C(=O)O2)cc1OC1c2ccccc2CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.40
PDE4A P27815 4/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HTR6 P50406 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
SMPD1 P17405 1/20 0.37
KMT2A Q03164 1/20 0.36
SLC5A7 Q9GZV3 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
SCHEMBL6588337 0.85 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DGABRA1
SCHEMBL7963965 0.82 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL6584682 0.81 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DHTR6
SCHEMBL6583752 0.80 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL6581743 0.79 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL6581746 0.79 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL6583751 0.75 SIGMAR1 (0.51) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6583426 0.75 PDE4B (0.51) PDE4BPDE4D
SCHEMBL6588339 0.74 CHRM5 (0.42) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6583656 0.74 PDE4A (0.38) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed