SCHEMBL5217263

SCHEMBL5217263

c1ccc2c(c1)oc1cccc(-c3ccc(C45CCCN(CC4)C5)cn3)c12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
Bromide SCHEMBL4465454 0.99 HSD11B1 (0.32) HSD11B1CCNCCDK8
SCHEMBL2679800 0.86 CCNC (0.39) HSD11B1CCNCCDK8
SCHEMBL2678843 0.83 CCNC (0.42) HSD11B1CCNCCDK8
SCHEMBL5219426 0.81 HSD11B1 (0.32) HSD11B1
SCHEMBL2678934 0.80 CYP11B1 (0.41) CCNCCDK8
Bromide SCHEMBL4460345 0.80 HSD11B1 (0.31) HSD11B1
SCHEMBL5222614 0.79 NPC1 (0.38) HSD11B1
Bromide SCHEMBL4465616 0.78 NPC1 (0.37) HSD11B1
SCHEMBL5223359 0.77 CYP11B1 (0.42) CCNCCDK8
SCHEMBL2678187 0.77 NPC1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed