Sugi Predict

Sugi Predict / Compounds / SCHEMBL5590301

SCHEMBL5590301

SCHEMBL5590301

CCn1nccc1Nc1c(C(N)=O)cnc2c(C)cc(S(=O)(=O)C(C)(C)C)cc12.Cc1cc(S(C)(=O)=O)cc2c(Nc3cccc4c3CCCO4)c(C(N)=O)cnc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 15/20 0.55
▸ THRB P10828 2/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32

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
SCHEMBL4266645 0.86 PDE4B (0.69) PDE4BNR1H2NR1H3
SCHEMBL2480491 0.84 PDE4B (0.46) PDE4BTHRB
SCHEMBL1275589 0.84 PDE4B (0.75) PDE4BNR1H2NR1H3
Hydrochloric Acid SCHEMBL2481486 0.83 PDE4B (0.74) PDE4BNR1H2NR1H3
SCHEMBL2479664 0.82 PDE4B (0.56) PDE4BTHRB
SCHEMBL1275851 0.79 PDE4B (0.65) PDE4B
SCHEMBL2484127 0.78 PDE4B (0.73) PDE4B
SCHEMBL2478763 0.77 PDE4B (0.74) PDE4BNR1H2NR1H3
SCHEMBL4952737 0.77 PDE4B (0.61) PDE4BTHRBNR1H2NR1H3
SCHEMBL4627105 0.76 PDE4B (0.61) PDE4B

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
JP-2007501264-A — — 2007-01-25 — — JP claimed
EP-1633748-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 — — EP claimed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 — — WO claimed