SCHEMBL7343820

SCHEMBL7343820

CCC1=C(c2ccc(-n3ccnc3CC)cc2)CC(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.45
▸ PDE4B Q07343 4/20 0.45
▸ PDE4C Q08493 4/20 0.45
▸ PDE4D Q08499 4/20 0.45
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ P2RX4 Q99571 13/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36

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
SCHEMBL7340182 0.88 PDE3B (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10759143 0.77 PDE3B (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7340691 0.77 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7347151 0.72 PDE3B (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11207365 0.71 PDE3B (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10764278 0.71 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11375358 0.68 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8429953 0.68 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL8830212 0.67 CYP3A4 (0.54) PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL11377758 0.67 PDE4A (0.50) 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 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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