SCHEMBL6561917

SCHEMBL6561917

O=C(Nc1nc[c]s1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
FFAR2 O15552 1/20 0.48
GCK P35557 13/20 0.46
SLC6A3 Q01959 2/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL2657079 0.82 FFAR2 (0.72) KCNH2FFAR2GCK
SCHEMBL2645076 0.82 FFAR2 (0.72) KCNH2FFAR2GCK
SCHEMBL2645075 0.82 FFAR2 (0.72) KCNH2FFAR2GCK
SCHEMBL6561897 0.82 FFAR2 (0.48) KCNH2FFAR2GCKSLC6A3KCNQ2
SCHEMBL2648959 0.81 GCK (0.58) KCNH2FFAR2GCK
SCHEMBL2657392 0.81 KCNH2 (0.56) KCNH2FFAR2GCKSLC6A3KCNQ2
SCHEMBL2646361 0.81 KCNH2 (0.56) KCNH2FFAR2GCKSLC6A3KCNQ2
SCHEMBL2658486 0.80 FFAR2 (0.49) KCNH2FFAR2GCKSLC6A3KCNQ2
SCHEMBL2646196 0.80 FFAR2 (0.49) KCNH2FFAR2GCKSLC6A3KCNQ2
SCHEMBL2659129 0.80 KCNH2 (0.49) KCNH2FFAR2GCK

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