SCHEMBL1856437

SCHEMBL1856437

N#Cc1ccc(N2CCN(C(=O)N3CC[C@H](c4cn[nH]c4)C3)c3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 1.00
SCD5 Q86SK9 1/20 0.39
ROCK2 O75116 1/20 0.39
FASN P49327 3/20 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
SCHEMBL1860157 1.00 HSD11B1 (1.00) HSD11B1SCD5ROCK2FASN
SCHEMBL1856442 1.00 HSD11B1 (1.00) HSD11B1SCD5ROCK2FASN
SCHEMBL1860064 0.91 HSD11B1 (0.82) HSD11B1SCD5ROCK2
SCHEMBL1860418 0.87 HSD11B1 (0.85) HSD11B1ROCK2
SCHEMBL1858468 0.86 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL3940394 0.86 HSD11B1 (0.82) HSD11B1ROCK2
SCHEMBL3929556 0.85 HSD11B1 (0.74) HSD11B1SCD5ROCK2
SCHEMBL1856868 0.85 HSD11B1 (0.81) HSD11B1ROCK2
SCHEMBL3933608 0.84 HSD11B1 (0.73) HSD11B1SCD5ROCK2
SCHEMBL1856402 0.83 HSD11B1 (1.00) HSD11B1ROCK2

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
US-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 US disclosed