Sugi Predict

Sugi Predict / Compounds / SCHEMBL11979

SCHEMBL11979

SCHEMBL11979

CCCCCCC(=O)CCCCC.O=C1CCC2(CC1)CCN(c1ccc(OCC(F)(F)F)nc1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 17/20 0.51
▸ GPR119 Q8TDV5 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35

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
SCHEMBL10207 0.87 LIPE (0.57) LIPEGPR119L3MBTL1
SCHEMBL11361 0.79 LIPE (0.55) LIPEGPR119L3MBTL1
SCHEMBL1590299 0.79 LIPE (0.66) LIPEGPR119
SCHEMBL1590298 0.79 LIPE (0.66) LIPEGPR119
SCHEMBL1590295 0.79 LIPE (0.66) LIPEGPR119
SCHEMBL12702311 0.79 LIPE (0.68) LIPEGPR119
SCHEMBL1590288 0.79 LIPE (0.68) LIPEGPR119
SCHEMBL11561 0.77 LIPE (0.58) LIPEGPR119
SCHEMBL1588925 0.77 LIPE (0.62) LIPEGPR119L3MBTL1
SCHEMBL1588928 0.77 LIPE (0.62) LIPEGPR119L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 — — EP disclosed
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