SCHEMBL7461482

SCHEMBL7461482

CC1NC(=O)CC=C1c1ccc(-n2cnc3c2CCCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.58
▸ PDE3A Q14432 6/20 0.58
▸ PDE2A O00408 3/20 0.58
▸ PDE1A P54750 1/20 0.58
▸ PDE1B Q01064 1/20 0.58
▸ PDE1C Q14123 1/20 0.58
▸ CYP11B2 P19099 9/20 0.33
▸ MAP3K5 Q99683 1/20 0.31
▸ PDK2 Q15119 1/20 0.30

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
SCHEMBL7290893 0.77 PDE3B (0.59) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL2643246 0.76 PDE2A (0.53) PDE3BPDE3APDE2A
Tetrahydrobenximidazole SCHEMBL10625034 0.73 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7461486 0.71 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7467810 0.71 KDM4E (0.41) PDE2ACYP11B2
SCHEMBL7289586 0.71 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7278083 0.68 PDE3B (0.57) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7382611 0.68 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10963015 0.68 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7293060 0.67 PDE3B (0.54) 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
US-4607037-A Cardiotonic 2(1H)-pyridinones WARNER-LAMBERT COMPANY (US) 1986-08-19 — — US disclosed
US-4503061-A Substituted phenyl-pyridinones as cardiotonic agents WARNER-LAMBERT COMPANY (US) 1985-03-05 — — US disclosed
EP-0102227-A2 2(1H)-pyridinones, useful as cardiotonic agents, and their production WARNER-LAMBERT COMPANY (US) 1984-03-07 — — EP disclosed
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