SCHEMBL7350571

SCHEMBL7350571

Cc1cc2c(c(C(=O)CCC(=O)O)c1)OCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MMP12 P39900 1/20 0.43
NR3C2 P08235 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.35
ADRB2 P07550 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
GAA P10253 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
NR2F2 P24468 1/20 0.34

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
SCHEMBL7291865 0.84 PDE3B (0.50) PDE3BPDE3AKMT2AMMP12NR3C2
SCHEMBL10033073 0.81 PDE3B (0.50) PDE3BPDE3AKMT2AMMP12NR3C2
SCHEMBL7344276 0.79 PDE3B (0.42) PDE3BPDE3AKMT2AMMP12NR3C2
SCHEMBL7348190 0.77 MAPT (0.48) PDE3BPDE3AKMT2AMEN1MMP12
SCHEMBL7348341 0.77 MAPT (0.48) KMT2AMEN1MMP12MAPTALDH1A1
SCHEMBL7349743 0.73 PDE3B (0.44) PDE3BPDE3AKMT2AMEN1TP53
SCHEMBL12116980 0.73 PDE3B (0.53) PDE3BPDE3AMMP12NR3C2TP53
SCHEMBL22312376 0.73 PDE3B (0.53) PDE3BPDE3AMMP12NR3C2SMN1; SMN2
SCHEMBL4102418 0.73 PDE3B (0.56) PDE3BPDE3AMMP12NR3C2SMN1; SMN2
SCHEMBL20278370 0.71 PDE3B (0.55) PDE3BPDE3AKMT2AMEN1MMP12

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
CN-1071427-A 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone ORTHO PHARMA CORP (US) 1993-04-28 CN disclosed
EP-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 EP disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones 1988-09-21 CN 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