SCHEMBL5223363

SCHEMBL5223363

c1ccc2c(-c3ccc(C45CCCN(CC4)C5)cn3)occ2c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
ALOX5AP P20292 1/20 0.30

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 SCHEMBL4467488 0.99 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL4463636 0.79
SCHEMBL4463296 0.78 HSD11B1 (0.40) HCRTR1HCRTR2
SCHEMBL5220054 0.77 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL5217419 0.77 CYP11B1 (0.38) HCRTR1HCRTR2
SCHEMBL2678934 0.77 CYP11B1 (0.41) HCRTR1HCRTR2
Bromide SCHEMBL4471147 0.77 HSD11B1 (0.39) HCRTR1HCRTR2
Bromide SCHEMBL4469354 0.76 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL5223359 0.76 CYP11B1 (0.42)
Bromide SCHEMBL4472191 0.76 CYP11B1 (0.37) HCRTR1HCRTR2

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