SCHEMBL6582390

SCHEMBL6582390

COc1ccc(C2CCN(Cc3ccncc3)C(=O)O2)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.56
PDE4B Q07343 16/20 0.56
PDE4C Q08493 13/20 0.56
PDE4D Q08499 13/20 0.56

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
SCHEMBL6583093 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587884 0.89 PDE4B (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584894 0.85 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582738 0.85 PDE4B (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588131 0.84 PDE4B (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583335 0.84 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585269 0.82 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7914394 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588062 0.82 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584814 0.82 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D

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