SCHEMBL7419355

SCHEMBL7419355

COc1c(CC2CCCC2)cccc1C(=O)Nc1c(Cl)cncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.55
PDE4B Q07343 16/20 0.47
PDE4A P27815 12/20 0.47
PDE4C Q08493 12/20 0.47
GFER P55789 1/20 0.43
P2RX7 Q99572 2/20 0.43

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
SCHEMBL7420334 0.77 PDE4D (0.68) PDE4DPDE4BPDE4APDE4C
SCHEMBL5026485 0.72 PDE4B (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL720382 0.72 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL14364571 0.71 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CP2RX7
SCHEMBL5022381 0.71 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL2518442 0.69 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL5794099 0.69 PDE4D (0.65) PDE4DPDE4BPDE4APDE4C
SCHEMBL2518447 0.69 PDE4D (0.66) PDE4DPDE4BPDE4APDE4C
SCHEMBL18929964 0.69 TDP1 (0.55)
SCHEMBL6470722 0.68 PDE4B (0.46) PDE4DPDE4BPDE4APDE4CP2RX7

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-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed