SCHEMBL7342129

SCHEMBL7342129

Cc1cc2c(cc1C1=NNC(=O)CC1C)NC(=O)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 1.00
PDE3A Q14432 15/20 1.00
MMP12 P39900 1/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL7349308 0.82 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL121664 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7349435 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL29605229 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7343071 0.79 PDE3B (1.00) PDE3BPDE3AMMP12PDE4APDE4B
SCHEMBL7340299 0.78 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7343812 0.77 PDE3B (0.62) PDE3BPDE3AMMP12TP53MAPT
SCHEMBL7296854 0.74 PDE3A (0.58) PDE3BPDE3AMAPTTHRBPDE4A
SCHEMBL2953764 0.73 MMP12 (0.64) PDE3BPDE3AMMP12TP53MAPT
SCHEMBL7348100 0.71 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 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