SCHEMBL6563227

SCHEMBL6563227

O=C(Nc1n[c]cs1)C(CC1CCCC1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
GCK P35557 14/20 0.43
FFAR2 O15552 1/20 0.43
CTSD P07339 2/20 0.38
EPHX1 P07099 1/20 0.35

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
SCHEMBL6561821 0.87 KCNH2 (0.58) KCNH2GCKFFAR2
SCHEMBL2646646 0.84 KCNH2 (0.69) KCNH2GCKFFAR2
SCHEMBL2658546 0.84 KCNH2 (0.69) KCNH2GCKFFAR2
SCHEMBL6563797 0.82 FFAR2 (0.62) KCNH2GCKFFAR2
SCHEMBL6561897 0.82 FFAR2 (0.48) KCNH2GCKFFAR2
SCHEMBL6563369 0.81 FFAR2 (0.48) KCNH2GCKFFAR2EPHX1
SCHEMBL6561977 0.80 GCK (0.51) KCNH2GCKFFAR2
SCHEMBL2646703 0.77 KCNH2 (0.47) KCNH2GCKFFAR2CTSD
SCHEMBL27712717 0.77 GCK (0.71) KCNH2GCK
SCHEMBL6561906 0.77 GCK (0.50) 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