SCHEMBL7314912

SCHEMBL7314912

CCCCCN(CCCCC)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OCC(C)C)CN2NC(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
MMP3 P08254 3/20 0.34
MOGAT2 Q3SYC2 3/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ACACB O00763 4/20 0.32
CYP2D6 P10635 1/20 0.31
MMP1 P03956 1/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL7307535 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314906 0.78 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312337 0.74 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7315161 0.73 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314853 0.73 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMOGAT2
SCHEMBL7319292 0.73 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320933 0.73 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7308791 0.70 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309686 0.70 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316988 0.69 PDE4A (0.50) 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