SCHEMBL10517430

SCHEMBL10517430

CCC1=C(c2ccc(-n3ccnc3C)cc2)CN(N2CC(c3ccc(-n4ccnc4C)c(N)c3)=C(CC)C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADH5 P11766 3/20 0.39
▸ PDE4B Q07343 7/20 0.36
▸ PDE4A P27815 6/20 0.36
▸ PDE4C Q08493 6/20 0.36
▸ PDE4D Q08499 6/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ PORCN Q9H237 1/20 0.33
▸ PDE2A O00408 3/20 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 0.85 PDE3B (0.42) PDE3BPDE3ACYP3A4CYP2D6CYP1A2
SCHEMBL7349137 0.79 PDE4B (0.39) PDE3BPDE3ACYP3A4CYP2D6CYP1A2
SCHEMBL10518068 0.74 KDM4E (0.49) ALDH1A1KDM4E
SCHEMBL7343758 0.72 PDE3B (0.51) PDE3BPDE3ACYP3A4CYP2D6CYP1A2
SCHEMBL7342548 0.71 PDE3B (0.38) PDE3BPDE3ACYP3A4ADH5PDE4B
SCHEMBL7340318 0.70 PDE3B (0.40) PDE3BPDE3ACYP3A4ADH5PDE4B
SCHEMBL9763201 0.68 PIM1 (0.36) PDE3BPDE3ACYP3A4ADH5PDE4B
SCHEMBL7340182 0.68 PDE3B (0.52) PDE3BPDE3ACYP3A4CYP2D6CYP1A2
SCHEMBL10764278 0.68 PDE3B (0.46) PDE3BPDE3ACYP3A4CYP2D6CYP1A2
SCHEMBL10759143 0.67 PDE3B (0.57) PDE3BPDE3ACYP3A4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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