SCHEMBL4543871

SCHEMBL4543871

[CH2]c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
KMT2A Q03164 3/20 0.39
KCNN4 O15554 2/20 0.36
KCNA3 P22001 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.35
NR1I2 O75469 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TBXA2R P21731 2/20 0.35
CCKBR P32239 2/20 0.35
OPRK1 P41145 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
CHRM2 P08172 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC22A1 O15245 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL392779 0.77 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL5240188 0.77 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL2279828 0.77 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL584588 0.77 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL27685085 0.77 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL10915007 0.77 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL4022590 0.77 CYP11B1 (0.40) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL1532332 0.74 CYP11B1 (0.41) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL27544681 0.74 KMT2A (0.41) CYP11B1CYP11B2KMT2AKCNN4KCNA3
SCHEMBL6948425 0.73 KMT2A (0.43) CYP11B1CYP11B2KMT2AKCNN4KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840125-B1 Intermediates for the preparation of dioxane-2-alkyl carbamates SANOFI AVENTIS (FR) 2009-06-24 EP disclosed
EP-1537096-B1 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2008-09-24 EP disclosed
EP-1840125-A2 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics sanofi-aventis (FR) 2007-10-03 EP disclosed
EP-1537096-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-06-08 EP disclosed
WO-2004020430-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-03-11 WO disclosed