SCHEMBL7906213

SCHEMBL7906213

COc1ccc(C2CNC(=O)CO2)cc1OCCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.52
PDE4B Q07343 12/20 0.52
PDE4C Q08493 12/20 0.52
PDE4D Q08499 12/20 0.52
PTAFR P25105 2/20 0.45

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
SCHEMBL7916407 0.93 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL7914440 0.87 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL7913451 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL7913434 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7914465 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7913482 0.82 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DPTAFR
SCHEMBL3549567 0.82 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL7919810 0.82 CYP11B1 (0.42)
SCHEMBL6582690 0.81 PTAFR (0.48) PDE4APDE4BPDE4CPDE4DPTAFR
SCHEMBL7914395 0.81 PDE4A (0.45) 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 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