SCHEMBL2906632

SCHEMBL2906632

C=C(C)COc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.69
PDE4D Q08499 18/20 0.69
PDE4A P27815 4/20 0.69
PDE4C Q08493 4/20 0.69
ABCB11 O95342 1/20 0.69
CYP2B6 P20813 1/20 0.55

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
SCHEMBL2905822 0.88 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084828 0.88 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2889262 0.88 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084849 0.86 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2889923 0.86 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2888121 0.86 PDE4B (0.72) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29824457 0.86 PDE4B (0.72) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL4163114 0.85 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7534706 0.84 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084836 0.84 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CABCB11

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-1879884-B1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LAB LTD (IN) 2010-08-25 EP disclosed
EP-1879884-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117653-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed