SCHEMBL7404431

SCHEMBL7404431

CC(=Cc1ccc(-n2cnc3c2CCCC3)cc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.47
▸ PDE3A Q14432 5/20 0.47
▸ PDE2A O00408 2/20 0.44
▸ FBP1 P09467 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL7404429 1.00 PDE3B (0.47) PDE3BPDE3APDE2AFBP1ALDH1A1
SCHEMBL7293060 0.78 PDE3B (0.54) PDE3BPDE3APDE2AALDH1A1PDE1A
SCHEMBL7415688 0.73 FBP1 (0.52) FBP1ALDH1A1
SCHEMBL7415685 0.73 FBP1 (0.52) FBP1ALDH1A1
SCHEMBL10758359 0.71 ALDH1A1 (0.58) PDE3BPDE3AFBP1ALDH1A1LMNA
SCHEMBL10914452 0.71 ALDH1A1 (0.58) PDE3BPDE3AFBP1ALDH1A1LMNA
SCHEMBL11204349 0.71 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL11204347 0.71 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL11006142 0.70 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11202335 0.69 MITF (0.58) FBP1ALDH1A1LMNAMAPTMEN1

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
EP-0102227-B1 2(1H)-PYRIDINONES, USEFUL AS CARDIOTONIC AGENTS, AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1989-05-03 — — EP disclosed
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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