SCHEMBL5765629

SCHEMBL5765629

COCCN(C)C(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.51
CSF1R P07333 5/20 0.39
THRB P10828 1/20 0.36
MTNR1B P49286 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5763422 0.88 PDE4B (0.57) PDE4BCSF1RTHRBMTNR1B
SCHEMBL4930021 0.88 PDE4B (0.51) PDE4BCSF1RMTNR1BKCNH2
SCHEMBL2501822 0.84 PDE4B (0.55) PDE4BCSF1RTHRBMTNR1BKCNH2
SCHEMBL5413089 0.83 PDE4B (0.49) PDE4BCSF1RKCNH2
SCHEMBL4262700 0.82 PDE4B (0.60) PDE4BCSF1RTHRBMTNR1BKCNH2
SCHEMBL8305598 0.80 PDE4B (0.54) PDE4BCSF1RMTNR1B
SCHEMBL5763692 0.80 PDE4B (0.54) PDE4BCSF1RKCNH2
SCHEMBL31020770 0.80 PDE4B (0.61) PDE4BCSF1RTHRBMTNR1BKCNH2
SCHEMBL5457430 0.79 PDE4B (0.55) PDE4BCSF1R
SCHEMBL12204105 0.79 PDE4B (0.60) PDE4BCSF1RTHRBMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673345-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2006-06-28 EP disclosed
WO-2005030725-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2005-04-07 WO disclosed