SCHEMBL7414952

SCHEMBL7414952

CC1CC(=O)NN=C1c1ccc2c(c1)Oc1c[nH]nc1N2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.63
PDE3A Q14432 17/20 0.63
PDE4A P27815 4/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
GALR3 O60755 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47

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 SCHEMBL121664 0.78 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Bemoradan SCHEMBL29605229 0.78 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7343945 0.77 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7410994 0.76 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11323239 0.72 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.71 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10902917 0.71 PDE3B (0.79) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7349435 0.71 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10902870 0.70 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7341030 0.70 PDE3B (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515668-A4 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO 4,3-B)-1,4-BENZOXAZINES 1993-03-10 EP claimed
EP-0515668-A1 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO 4,3-b]-1,4-BENZOXAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-12-02 EP claimed
WO-1992011265-A1 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO[4,3-b]-1,4-BENZOXAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-09 WO claimed
EP-0515668-A4 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO 4,3-B)-1,4-BENZOXAZINES 1993-03-10 EP disclosed
EP-0515668-A1 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO 4,3-b]-1,4-BENZOXAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-12-02 EP disclosed
WO-1992011265-A1 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO[4,3-b]-1,4-BENZOXAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-09 WO disclosed
US-5116837-A 2,9-dihydro-(6 or 7)-(3-oxo-2,3,4,5-tetrahydropyridazinyl)-pyrazolo [4,3-B]-1,4-benzoxazines ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-26 US disclosed