SCHEMBL7341973

SCHEMBL7341973

CC1C(=O)N(C)Oc2ccc(C3=NNC(=O)CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.53
PDE3A Q14432 16/20 0.53
PDE4A P27815 6/20 0.48
PDE4B Q07343 6/20 0.48
PDE4C Q08493 6/20 0.48
PDE4D Q08499 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL7343431 0.81 PDE3A (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL27357281 0.79 PDE3B (0.33) PDE3BPDE3A
SCHEMBL7341970 0.74 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7485942 0.74 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7340613 0.69 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7341535 0.69 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7342167 0.69 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7346242 0.69 PDE3B (0.82) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353452 0.68 SMN1; SMN2 (0.81) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7346316 0.68 PDE3B (0.53) 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 5 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-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