SCHEMBL7315161

SCHEMBL7315161

CCCCCCN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OCC(C)(C)C)CN2NC(=O)C(C)C)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.46
PDE4B Q07343 8/20 0.46
PDE4C Q08493 8/20 0.46
PDE4D Q08499 8/20 0.46
PDE3B Q13370 12/20 0.41
PDE3A Q14432 12/20 0.41
PDE2A O00408 1/20 0.38
P2RY12 Q9H244 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
SCHEMBL7308791 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317142 0.89 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7315156 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317966 0.81 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317336 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307540 0.77 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL7309686 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318818 0.74 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307535 0.73 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7340098 0.73 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed