SCHEMBL16696346

SCHEMBL16696346

CCOc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CN1CCC(N2CCC(C(=O)O)=CC2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.51
KCNH2 Q12809 4/20 0.42
PTGDR Q13258 1/20 0.37

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
SCHEMBL16616515 0.82 SSTR5 (0.49) SSTR5KCNH2
SCHEMBL16616324 0.82 SSTR5 (0.49) SSTR5KCNH2
SCHEMBL16616632 0.82 SSTR5 (0.48) SSTR5KCNH2
SCHEMBL16616145 0.81 SSTR5 (0.48) SSTR5KCNH2
SCHEMBL16616417 0.81 SSTR5 (0.48) SSTR5KCNH2
SCHEMBL16616469 0.81 SSTR5 (0.47) SSTR5KCNH2
SCHEMBL16670554 0.80 SSTR5 (0.51) SSTR5KCNH2PTGDR
SCHEMBL16670334 0.80 SSTR5 (0.51) SSTR5KCNH2PTGDR
SCHEMBL16683345 0.80 SSTR5 (0.51) SSTR5KCNH2
SCHEMBL16669914 0.80 SSTR5 (0.52) SSTR5KCNH2

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-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed