SCHEMBL7345689

SCHEMBL7345689

CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)c1ccccc1O)CN2NC(=O)N(C)C1CCCCC1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.47
PDE4B Q07343 11/20 0.47
PDE4C Q08493 11/20 0.47
PDE4D Q08499 11/20 0.47
PDE3B Q13370 10/20 0.45
PDE3A Q14432 10/20 0.45
P2RY12 Q9H244 1/20 0.44

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
SCHEMBL7340098 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317295 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309686 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311093 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317966 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309204 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309558 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7304679 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319563 0.80 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319292 0.80 PDE4A (0.59) 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