SCHEMBL7349137

SCHEMBL7349137

CCC1=C(c2ccc(-n3ccnc3C)c(N)c2)CNC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 6/20 0.39
▸ PDE4A P27815 5/20 0.39
▸ PDE4C Q08493 5/20 0.39
▸ PDE4D Q08499 5/20 0.39
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ ADH5 P11766 2/20 0.36
▸ PDE2A O00408 3/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL10517424 0.95 PDE3B (0.42) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7342548 0.87 PDE3B (0.38) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7342402 0.83 KDM4E (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7343758 0.81 PDE3B (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7340723 0.80 PDE3B (0.38) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10517430 0.79 PDE3B (0.39) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10518063 0.79 KDM4E (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7340318 0.77 PDE3B (0.40) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL9763201 0.70 PIM1 (0.36) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7350046 0.70 ALDH1A1 (0.55) 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-0329691-B1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1991-11-21 — — EP disclosed
EP-0329691-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES. SCHERING AG (DE) 1989-08-30 — — EP disclosed
WO-1988003531-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-19 — — WO disclosed
US-4737511-A Cardiotonic imidazolylphenylpyrrol-2-ones SCHERING A.G. (DE) 1988-04-12 — — US disclosed
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