SCHEMBL6583656

SCHEMBL6583656

COc1ccc(C2CCN(C)C(=O)O2)cc1OCC1(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
HTR2C P28335 3/20 0.37
HTR2A P28223 1/20 0.37
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
PTAFR P25105 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL7963965 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPTAFR
SCHEMBL6588339 0.85 CHRM5 (0.42) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL6583426 0.84 PDE4B (0.51) PDE4BPDE4D
SCHEMBL6582719 0.83 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584261 0.83 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6582911 0.83 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6583040 0.82 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583108 0.81 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6581756 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583751 0.79 SIGMAR1 (0.51) PDE4APDE4BPDE4CPDE4DHIF1A

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