SCHEMBL16628684

SCHEMBL16628684

C[C@@H](Oc1cncc(N2CC[C@]3(CC[C@](O)(C4CC4)CC3)C2=O)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 20/20 0.50

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
SCHEMBL11800 0.87 LIPE (0.64) LIPE
SCHEMBL1589626 0.87 LIPE (0.64) LIPE
SCHEMBL11801 0.87 LIPE (0.64) LIPE
SCHEMBL12702000 0.87 LIPE (0.64) LIPE
SCHEMBL1589629 0.87 LIPE (0.64) LIPE
SCHEMBL12702274 0.87 LIPE (0.64) LIPE
SCHEMBL1590201 0.83 LIPE (0.68) LIPE
SCHEMBL1589278 0.83 LIPE (0.68) LIPE
SCHEMBL1589280 0.83 LIPE (0.68) LIPE
SCHEMBL1589276 0.83 LIPE (0.68) 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 claimed