SCHEMBL10468427

SCHEMBL10468427

O=C1CCC(c2ccc(-n3ccnc3)nc2)=NN1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.69
▸ PDE3A Q14432 13/20 0.69
▸ PDE4A P27815 3/20 0.69
▸ PDE4B Q07343 3/20 0.69
▸ PDE4C Q08493 3/20 0.69
▸ PDE4D Q08499 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ KCNH2 Q12809 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE2A O00408 3/20 0.43
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ MAPT P10636 1/20 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
SCHEMBL10554320 0.82 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL148436 0.82 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL124243 0.81 PDE3B (0.97) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10550384 0.81 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10551860 0.80 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10684945 0.78 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10469492 0.76 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7278112 0.75 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7438685 0.73 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10468163 0.72 PDE3A (0.70) 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
US-4783463-A Pyridyl-pyridazinone and pyridyl-pyrazolinone compounds and their use in the treatment of congestive heart failure RORER PHARMACEUTICAL CORPORATION (US) 1988-11-08 — — US claimed
US-4954494-A Cardiotonic and inotropic agents RORER PHARMACEUTICAL CORPORATION (US) 1990-09-04 — — US disclosed
US-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
US-4826835-A INOTROPIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-05-02 — — US disclosed
US-4783463-A Pyridyl-pyridazinone and pyridyl-pyrazolinone compounds and their use in the treatment of congestive heart failure RORER PHARMACEUTICAL CORPORATION (US) 1988-11-08 — — US disclosed
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 — — EP disclosed
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