SCHEMBL12176

SCHEMBL12176

CCc1ccc(N2CCC3(CCC4(CC4)CC3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.57
LIPE Q05469 10/20 0.50
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL1590437 0.86 EGLN1 (0.56) EGLN1LIPEITGB3ITGA2B
SCHEMBL743526 0.85 EGLN1 (0.55) EGLN1LIPEITGB3ITGA2BMGLL
SCHEMBL1589368 0.84 EGLN1 (0.54) EGLN1LIPE
SCHEMBL5592 0.84 EGLN1 (0.54) EGLN1LIPEITGB3ITGA2BMGLL
SCHEMBL9870 0.84 EGLN1 (0.54) EGLN1LIPE
SCHEMBL9871 0.84 EGLN1 (0.54) EGLN1LIPE
SCHEMBL25676822 0.83 EGLN1 (0.52) EGLN1LIPEMGLL
SCHEMBL759281 0.83 EGLN1 (0.53) EGLN1LIPEITGB3ITGA2B
SCHEMBL10330 0.82 LIPE (0.56) EGLN1LIPEITGB3ITGA2B
SCHEMBL10331 0.82 LIPE (0.56) EGLN1LIPEITGB3ITGA2B

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
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed