SCHEMBL7269180

SCHEMBL7269180

CCc1c(C(=O)c2ccc(-n3ccnc3C)cc2)n(C(=O)CCCCO)c(=O)n1C(=O)CCCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.51
▸ PDE4A P27815 11/20 0.51
▸ PDE4C Q08493 11/20 0.51
▸ PDE4D Q08499 11/20 0.51
▸ PDE3B Q13370 2/20 0.51
▸ PDE3A Q14432 2/20 0.51
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ PDE2A O00408 3/20 0.34
▸ ADH5 P11766 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ PORCN Q9H237 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32

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
SCHEMBL7267119 0.93 PDE4A (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265079 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265986 0.83 PDE4A (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265292 0.83 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265134 0.83 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265236 0.83 PDE4A (0.57) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265710 0.80 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7271896 0.79 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265400 0.79 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7265959 0.77 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DPDE3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264729-B1 Prodrug derivatives of the cardiotonic agent 4-ethyl-1,3-dihydro-5-[4-(2-methyl-1H-imidazol-1-yl)-benzoyl]]-2H-imidazol-one BERLEX LABORATORIES, INC. (US) 1992-03-25 — — EP claimed
US-4743612-A Prodrug derivatives of the cardiotonic agent 4-ethyl-1,3-dihydro-5-(4-(2-methyl-1H-imidazol-1-yl)benzoyl)-2H-imidazol-2-one, composition containing them, and method of using them to treat cardiac failure BERLEX LABORATORIES, INC. (US) 1988-05-10 — — US claimed
EP-0264729-A2 Prodrug derivatives of the cardiotonic agent 4-ethyl-1,3-dihydro-5-[4-(2-methyl-1H-imidazol-1-yl)-benzoyl]]-2H-imidazol-one BERLEX LABORATORIES, INC. (US) 1988-04-27 — — EP claimed
EP-0264729-B1 Prodrug derivatives of the cardiotonic agent 4-ethyl-1,3-dihydro-5-[4-(2-methyl-1H-imidazol-1-yl)-benzoyl]]-2H-imidazol-one BERLEX LABORATORIES, INC. (US) 1992-03-25 — — EP disclosed
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