SCHEMBL8767319

SCHEMBL8767319

Fc1cc(CC[C@H]2CC[C@H]([C@H]3CC[C@H](C4CCCC4)CC3)CC2)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.38
PDE4B Q07343 9/20 0.38
PDE4C Q08493 9/20 0.38
PDE4D Q08499 9/20 0.38
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1H O95180 1/20 0.32

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
SCHEMBL8767318 0.94 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767225 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767220 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767612 0.90 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767619 0.90 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767616 0.90 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8768471 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8768462 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767535 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767545 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHCRTR1

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
EP-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed