SCHEMBL6563810

SCHEMBL6563810

COC(=O)Oc1csc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
GCK P35557 11/20 0.44
FFAR2 O15552 1/20 0.44
SLC6A3 Q01959 6/20 0.43

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
SCHEMBL6563333 0.92 FFAR2 (0.45) KCNH2GCKFFAR2SLC6A3
SCHEMBL6563774 0.90 FFAR2 (0.56) KCNH2GCKFFAR2
SCHEMBL6563666 0.88 FFAR2 (0.43) KCNH2GCKFFAR2
SCHEMBL2658701 0.86 GCK (0.47) KCNH2GCKFFAR2
SCHEMBL2647175 0.86 GCK (0.47) KCNH2GCKFFAR2
SCHEMBL2647173 0.86 GCK (0.47) KCNH2GCKFFAR2
SCHEMBL3863088 0.86 GCK (0.47) KCNH2GCKFFAR2
SCHEMBL6561839 0.86 GCK (0.48) KCNH2GCKFFAR2
SCHEMBL2647166 0.86 POLB (0.49) KCNH2GCKFFAR2
SCHEMBL2645609 0.85 GCK (0.48) KCNH2GCKFFAR2

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-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed