SCHEMBL7316379

SCHEMBL7316379

CCCCCN(C)C(=O)CCCOc1ccc2c(c1)CN(CC(=O)NN1CCCCC1)CN2NC(=O)N(CC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PDE3B Q13370 6/20 0.35
PDE3A Q14432 6/20 0.35
PDE4A P27815 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
ESR1 P03372 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
SCHEMBL7312685 0.85 PDE4A (0.35) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313857 0.81 PDE4A (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7315736 0.78 PDE4A (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7314853 0.78 PDE4A (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317800 0.77 PDE4A (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7307199 0.76 PDE4A (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7307287 0.72 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7318289 0.72 PDE4A (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7314022 0.71 PDE4A (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7309204 0.71 PDE4A (0.54) PDE3BPDE3APDE4APDE4BPDE4C

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