SCHEMBL7307629

SCHEMBL7307629

CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OC(C)(C)C(Cl)(Cl)Cl)C(NC(=O)N(C1CCCCC1)C1CCCCC1)=N2)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.58
PDE4B Q07343 20/20 0.58
PDE4C Q08493 20/20 0.58
PDE4D Q08499 20/20 0.58

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
SCHEMBL7313532 0.95 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316603 0.91 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7313542 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312626 0.87 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310947 0.87 PDE3B (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319497 0.85 PDE3B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321054 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307033 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312630 0.81 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317184 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D

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