SCHEMBL7265959

SCHEMBL7265959

CCc1c(C(=O)c2ccc(-n3ccnc3C)cc2)n(CCCCC(=O)O)c(=O)n1CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.48
▸ PDE4B Q07343 10/20 0.48
▸ PDE4C Q08493 10/20 0.48
▸ PDE4D Q08499 10/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ 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 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PORCN Q9H237 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ NR4A1 P22736 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDE2A O00408 1/20 0.33

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
SCHEMBL7269180 0.77 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7267119 0.76 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7273172 0.75 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7265236 0.74 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7271896 0.73 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7265710 0.72 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7265400 0.71 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7265134 0.71 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30831804 0.71 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10669696 0.70 KMT2A (0.53) 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
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
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