SCHEMBL16628759

SCHEMBL16628759

O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC2(CC1)CCN(c1ccc(C(O)C(F)(F)F)cc1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 17/20 0.60
HRH3 Q9Y5N1 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
EBP Q15125 1/20 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
SCHEMBL11705 0.93 LIPE (0.64) LIPEHDAC11EBP
SCHEMBL11736 0.93 LIPE (0.64) LIPEHDAC11EBP
SCHEMBL11060 0.84 LIPE (0.53) LIPEHDAC11EBP
SCHEMBL744447 0.80 LIPE (0.60) LIPEHRH3EBP
SCHEMBL12688337 0.78 LIPE (0.60) LIPEHRH3EBP
SCHEMBL1589479 0.78 LIPE (0.60) LIPEHRH3EBP
SCHEMBL11606 0.78 LIPE (0.60) LIPEHRH3EBP
SCHEMBL11888 0.77 LIPE (0.46) LIPEHDAC11EBP
SCHEMBL11643 0.77 LIPE (0.59) LIPEHRH3EBP
SCHEMBL11778 0.77 LIPE (0.62) LIPE

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-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed