SCHEMBL6073147

SCHEMBL6073147

NC(=O)c1ccc(OC(F)F)c(OCC2CC2)c1-c1c(Cl)cncc1Cl

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.52
PDE4A P27815 17/20 0.52
PDE4B Q07343 15/20 0.52
PDE4C Q08493 15/20 0.52
ABCB11 O95342 1/20 0.52
CNR2 P34972 1/20 0.38

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
SCHEMBL8558524 0.79 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL5794099 0.76 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL4594035 0.76 PDE4B (0.45) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL7654461 0.73 PDE4B (0.40) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL16447382 0.70 PARP10 (0.58) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL4544198 0.69 PDE4B (0.71) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL1028814 0.69 PDE4B (0.71) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL19205486 0.69 PDE4B (0.64) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL5797196 0.69 PDE4B (0.52) PDE4DPDE4APDE4BPDE4CABCB11
SCHEMBL5797239 0.69 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed