SCHEMBL7420334

SCHEMBL7420334

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1CC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.68
PDE4A P27815 17/20 0.68
PDE4B Q07343 17/20 0.68
PDE4C Q08493 17/20 0.68
CYP2B6 P20813 1/20 0.57
ABCB11 O95342 1/20 0.53

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
SCHEMBL7352724 0.84 PDE4B (0.73) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7363664 0.81 PDE4D (0.62) PDE4DPDE4APDE4BPDE4CCYP2B6
Piclamilast SCHEMBL26573 0.81 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7417912 0.80 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7335911 0.80 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7359780 0.80 PDE4B (0.76) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL15270505 0.79 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7439590 0.79 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7474577 0.78 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890987 0.78 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed