SCHEMBL7316937

SCHEMBL7316937

CNC(=O)CN1Cc2ccc(OCCC(C(N)=O)C3CNCCO3)cc2N=C1NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
REN P00797 2/20 0.30

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
SCHEMBL7320666 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL7321533 0.92 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321092 0.92 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317847 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316575 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320563 0.84 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DREN
SCHEMBL7318649 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316947 0.73 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7305497 0.71 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL10374505 0.70 PDE3B (0.60) 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