SCHEMBL7343071

SCHEMBL7343071

Cc1cc2c(c(C3=NNC(=O)CC3C)c1)OCC(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 1.00
PDE3A Q14432 17/20 1.00
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
MMP12 P39900 1/20 0.40
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL7343361 0.82 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7342129 0.79 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2071896 0.78 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7347277 0.77 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7349435 0.72 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL29605229 0.72 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL121664 0.72 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL4102418 0.70 PDE3B (0.56) PDE3BPDE3AMMP12
SCHEMBL20278370 0.69 PDE3B (0.55) PDE3BPDE3AMMP12
SCHEMBL27377493 0.68 PDE3B (0.64) PDE3BPDE3AMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP claimed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 US claimed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 US disclosed