SCHEMBL7282912

SCHEMBL7282912

O=C1CCC(C=Cc2ccc(-n3cnc4c3CCCC4)cc2)=NN1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.66
▸ PDE3A Q14432 11/20 0.66
▸ PDE2A O00408 3/20 0.65
▸ PDE1A P54750 1/20 0.53
▸ PDE1B Q01064 1/20 0.53
▸ PDE1C Q14123 1/20 0.53
▸ LMNA P02545 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTGS1 P23219 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ CYP11B2 P19099 2/20 0.33

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
SCHEMBL10833710 1.00 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7289586 0.79 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7293060 0.76 PDE3B (0.54) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11019458 0.74 PDE3B (0.63) PDE3BPDE3ALMNARAB9ASMN1; SMN2
SCHEMBL11019471 0.74 PDE3B (0.63) PDE3BPDE3ALMNARAB9ASMN1; SMN2
SCHEMBL10763947 0.72 RAB9A (0.68) PDE3BPDE3ALMNARAB9ASMN1; SMN2
SCHEMBL7290070 0.71 PDE3B (1.00) PDE3BPDE3APDE2ALMNARAB9A
SCHEMBL7297228 0.71 PDE3B (1.00) PDE3BPDE3APDE2ALMNARAB9A
SCHEMBL10963015 0.71 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10763655 0.70 LMNA (0.67) PDE3BPDE3ALMNARAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 — — US claimed
EP-0145450-A2 6- [2-[4-(1H-imidazol-1-yl)phenyl]-alkylene and alkylenyl]-3(2H)-pyridazinones, the 4,5-dihydro- pyridazinone derivatives thereof, and a process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1985-06-19 — — EP claimed
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 — — US disclosed
EP-0145450-A2 6- [2-[4-(1H-imidazol-1-yl)phenyl]-alkylene and alkylenyl]-3(2H)-pyridazinones, the 4,5-dihydro- pyridazinone derivatives thereof, and a process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1985-06-19 — — EP disclosed
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