SCHEMBL7410994

SCHEMBL7410994

CC1CC(=O)NN=C1c1ccc2c(c1)OC(C)(C)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 1.00
PDE3A Q14432 18/20 1.00
PDE4A P27815 4/20 0.66
PDE4B Q07343 4/20 0.66
PDE4C Q08493 4/20 0.66
PDE4D Q08499 4/20 0.66
GALR3 O60755 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50

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
Bemoradan SCHEMBL29605229 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL121664 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7343945 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL31123125 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7426790 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7344243 0.79 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518506 0.76 PDE3B (0.76) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7414952 0.76 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11323239 0.75 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.75 PDE3B (0.71) 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
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-5221742-A PROCESS FOR THE PREPARATION OF 6-(3,4-DIHYDRO-3-OXO-1,4(2H)-BENZOXAZIN-7-YL)-2,3,4,5-TETRAHYDROPYRIDAZIN-3-ONES ORTHO PHARMACEUTICAL CORPORATION (US) 1993-06-22 US disclosed