SCHEMBL4598481

SCHEMBL4598481

[c]1ccc(OCc2ccccc2)cc1NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.52
F2 P00734 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRIN2B Q13224 1/20 0.49
ALOX5 P09917 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 3/20 0.42

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
SCHEMBL3456084 0.85 BCHE (0.53) BCHEF2ALOX5MEN1KMT2A
SCHEMBL4599858 0.84 MAOB (0.46) BCHEALOX5CYP4F2CYP4A11MEN1
SCHEMBL4600042 0.81 MAOB (0.49) BCHEALOX5CYP4F2CYP4A11MAOB
SCHEMBL4598684 0.81 BCHE (0.43) BCHEALOX5CYP4F2CYP4A11MEN1
SCHEMBL4611281 0.78 FAAH (0.40) F2MAOB
SCHEMBL4599932 0.78 BCHE (0.53) BCHEF2MEN1KMT2AMAOB
SCHEMBL4599229 0.77 MAOB (0.45) BCHEALOX5CYP4F2CYP4A11MAOB
SCHEMBL4599300 0.76 CCNC (0.45) MEN1KMT2AMAOB
SCHEMBL4599749 0.76 CCNC (0.45) MEN1KMT2AMAOB
SCHEMBL4599961 0.76 L3MBTL1 (0.49) KCNH2MEN1KMT2AMAOB

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed