SCHEMBL7341476

SCHEMBL7341476

CC1CC(=O)NN=C1c1ccc2c(c1)N(C(C)C)C(=O)C(C)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 1.00
PDE3A Q14432 18/20 1.00
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48

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
SCHEMBL7342586 0.86 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7341503 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7343441 0.79 PDE3B (0.83) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7341030 0.74 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7341201 0.73 PDE3B (0.83) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7343945 0.72 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.71 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL13091065 0.71 TSHR (0.54) PDE3BPDE3A
SCHEMBL7345069 0.71 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10617610 0.70 PDE3B (0.54) 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