SCHEMBL7289586

SCHEMBL7289586

O=C1CCC(c2ccc(-n3cnc4c3CCCC4)cc2)=NN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 1.00
▸ PDE3A Q14432 12/20 1.00
▸ PDE2A O00408 4/20 1.00
▸ PDE1A P54750 2/20 0.64
▸ PDE1B Q01064 2/20 0.64
▸ PDE1C Q14123 2/20 0.64
▸ LMNA P02545 2/20 0.52
▸ PDE4A P27815 2/20 0.52
▸ PDE4B Q07343 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL10963015 0.80 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10833710 0.79 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7282912 0.79 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
Tetrahydrobenximidazole SCHEMBL10625034 0.78 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7461486 0.76 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7280920 0.75 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7382611 0.75 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10353452 0.74 SMN1; SMN2 (0.81) PDE3BPDE3APDE2ALMNAPDE4A
SCHEMBL7290893 0.74 PDE3B (0.59) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7280158 0.73 PDE3B (0.58) PDE3BPDE3APDE2APDE1APDE1B

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-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP claimed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP disclosed
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