SCHEMBL12303

SCHEMBL12303

O=C1N(c2ccc(C3CC3)cc2)CCC12CCC1(CC1)CC2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.62
EGLN1 Q9GZT9 2/20 0.49
EBP Q15125 1/20 0.42
LIPE Q05469 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL10308 0.87 HRH3 (0.66) HRH3EGLN1EBPLIPE
SCHEMBL6137 0.87 HRH3 (0.66) HRH3EGLN1EBPLIPE
SCHEMBL1589768 0.87 HRH3 (0.66) HRH3EGLN1EBPLIPE
SCHEMBL9671 0.87 HRH3 (0.60) HRH3EGLN1EBP
SCHEMBL10149 0.86 HRH3 (0.60) HRH3EGLN1LIPE
SCHEMBL1589959 0.86 HRH3 (0.60) HRH3EGLN1LIPE
SCHEMBL10150 0.86 HRH3 (0.60) HRH3EGLN1LIPE
SCHEMBL5536 0.86 HRH3 (0.63) HRH3EGLN1EBPLIPE
SCHEMBL747761 0.85 HRH3 (0.59) HRH3EGLN1EBPLIPE
SCHEMBL5842 0.84 HRH3 (0.58) HRH3EGLN1EBP

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