SCHEMBL6563797

SCHEMBL6563797

O=C(Nc1n[c]cs1)C(CC1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.62
GCK P35557 13/20 0.51
KCNH2 Q12809 2/20 0.44

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
SCHEMBL6561977 0.89 GCK (0.51) FFAR2GCKKCNH2
SCHEMBL6561897 0.89 FFAR2 (0.48) FFAR2GCKKCNH2
SCHEMBL6563369 0.88 FFAR2 (0.48) FFAR2GCKKCNH2
SCHEMBL6561906 0.85 GCK (0.50) FFAR2GCKKCNH2
SCHEMBL27712717 0.85 GCK (0.71) GCKKCNH2
SCHEMBL6562292 0.83 KCNH2 (0.63) FFAR2GCKKCNH2
SCHEMBL6563227 0.82 KCNH2 (0.49) FFAR2GCKKCNH2
SCHEMBL2646757 0.81 FFAR2 (0.91) FFAR2GCKKCNH2
SCHEMBL2658012 0.79 FFAR2 (0.60) FFAR2GCKKCNH2
SCHEMBL27467149 0.79 FFAR2 (0.60) FFAR2GCKKCNH2

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