SCHEMBL6563369

SCHEMBL6563369

O=C(Nc1n[c]cs1)C(CC1CCCC1)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.48
KCNH2 Q12809 3/20 0.44
GCK P35557 8/20 0.43
EPHX2 P34913 2/20 0.39
KCNQ2 O43526 1/20 0.39
METAP2 P50579 1/20 0.39
GLS O94925 2/20 0.39
EPHX1 P07099 1/20 0.38
ROCK2 O75116 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6563797 0.88 FFAR2 (0.62) FFAR2KCNH2GCK
SCHEMBL6561897 0.87 FFAR2 (0.48) FFAR2KCNH2GCKKCNQ2
SCHEMBL2656985 0.83 FFAR2 (0.70) FFAR2KCNH2GCKEPHX2MEN1
SCHEMBL2646346 0.83 FFAR2 (0.70) FFAR2KCNH2GCKEPHX2MEN1
SCHEMBL6561977 0.81 GCK (0.51) FFAR2KCNH2GCK
SCHEMBL6562292 0.81 KCNH2 (0.63) FFAR2KCNH2GCK
SCHEMBL6563227 0.81 KCNH2 (0.49) FFAR2KCNH2GCKEPHX1
SCHEMBL27548008 0.80 FFAR2 (0.46) FFAR2KCNH2GCKROCK2
SCHEMBL13609600 0.79 KCNH2 (0.48) FFAR2KCNH2GCKMETAP2GLS
SCHEMBL2658530 0.78 L3MBTL1 (0.46) FFAR2KCNH2GCKROCK2

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