SCHEMBL3661615

SCHEMBL3661615

COC(C)(C)c1ccc2c(n1)CC[C@H](C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
PDK1 Q15118 1/20 0.36
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CHEK1 O14757 1/20 0.32
JAK2 O60674 1/20 0.32
SLC6A11 P48066 1/20 0.32
GCK P35557 1/20 0.32
FAAH O00519 4/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL1107086 1.00 CYP1A2 (0.37) CYP1A2PDK1DRD2DRD3CHEK1
SCHEMBL538193 1.00 CYP1A2 (0.37) CYP1A2PDK1DRD2DRD3CHEK1
SCHEMBL1107084 0.89 PKM (0.36) PDK1DRD2DRD3JAK2FAAH
SCHEMBL537845 0.89 PKM (0.36) PDK1DRD2DRD3JAK2FAAH
SCHEMBL1107085 0.85 PDK1 (0.39) CYP1A2PDK1DRD2DRD3GCK
SCHEMBL538258 0.85 PDK1 (0.39) CYP1A2PDK1DRD2DRD3GCK
SCHEMBL537597 0.82 PDK1 (0.36) CYP1A2PDK1
SCHEMBL909762 0.82 PDK1 (0.36) CYP1A2PDK1
SCHEMBL909084 0.82 PDK1 (0.36) CYP1A2PDK1
SCHEMBL1107075 0.81 PDK1 (0.40) CYP1A2PDK1DRD2DRD3GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP claimed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO claimed
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed