SCHEMBL9584441

SCHEMBL9584441

CN(C(=O)CCCO/N=C(\c1ccccc1)c1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 20/20 0.70
PDE3A Q14432 20/20 0.70
PDE4A P27815 1/20 0.70
PDE4B Q07343 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70
P2RY12 Q9H244 1/20 0.70

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
SCHEMBL9583372 1.00 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9583358 1.00 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9584347 0.98 PDE3B (0.72) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9584335 0.98 PDE3B (0.72) PDE3BPDE3APDE4APDE4BPDE4C
Water SCHEMBL9583863 0.98 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
Water SCHEMBL9583851 0.98 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
Water SCHEMBL9583872 0.98 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
Revizinone SCHEMBL7297062 0.91 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
Revizinone SCHEMBL7289525 0.91 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
Revizinone SCHEMBL9584593 0.91 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220023-A Intermediates for inotropic agents JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-15 US disclosed
US-5120845-A Treating congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-09 US disclosed
US-5043327-A Treating mammals with congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-27 US disclosed