SCHEMBL7340182

SCHEMBL7340182

CCC1=C(c2ccc(-n3ccnc3C)cc2)CC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.52
▸ PDE3A Q14432 3/20 0.52
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ PDE4B Q07343 7/20 0.45
▸ PDE4A P27815 6/20 0.45
▸ PDE4C Q08493 6/20 0.45
▸ PDE4D Q08499 6/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ADH5 P11766 3/20 0.43
▸ PDE2A O00408 4/20 0.40
▸ PORCN Q9H237 1/20 0.38

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
SCHEMBL10759143 0.89 PDE3B (0.57) PDE3BPDE3AMGAMGAASI
SCHEMBL7343820 0.88 PDE4A (0.45) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7347151 0.85 PDE3B (0.56) PDE3BPDE3AMGAMGAASI
SCHEMBL10764278 0.82 PDE3B (0.46) PDE3BPDE3AMGAMGAASI
SCHEMBL7343758 0.78 PDE3B (0.51) PDE3BPDE3AMGAMGAASI
SCHEMBL7340691 0.77 PDE3B (0.51) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10755622 0.76 PDE3B (0.62) PDE3BPDE3AMGAMGAASI
Hydrochloric Acid SCHEMBL10759777 0.75 PDE3B (0.60) PDE3BPDE3AMGAMGAASI
SCHEMBL7341161 0.73 PDE3B (0.54) PDE3BPDE3AMGAMGAASI
SCHEMBL30305324 0.72 ADH5 (0.66) PDE3BPDE3AMGAMGAASI

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 8 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 claimed
EP-0329691-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES. SCHERING AG (DE) 1989-08-30 — — EP claimed
WO-1988003531-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-19 — — WO claimed
US-4737511-A Cardiotonic imidazolylphenylpyrrol-2-ones SCHERING A.G. (DE) 1988-04-12 — — US claimed
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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