SCHEMBL6583947

SCHEMBL6583947

COc1ccc(C2CCNC(=O)O2)cc1OCC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
PDE4A P27815 8/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE1C Q14123 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL6583912 0.98 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL6585251 0.95 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL6583051 0.86 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6584131 0.86 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL6587870 0.84 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6584175 0.83 PDE4A (0.57) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6581756 0.81 PDE4A (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL6584659 0.81 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL6584973 0.81 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL6582719 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRNB4

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