SCHEMBL2659540

SCHEMBL2659540

Cc1cnc(NC(=O)C(CC2CCCCO2)c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
GCK P35557 12/20 0.42
CNR2 P34972 3/20 0.37
GRM5 P41594 1/20 0.36
CNR1 P21554 1/20 0.34

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
SCHEMBL2642103 0.90 KCNH2 (0.61) KCNH2GCKCNR2
SCHEMBL14423117 0.90 KCNH2 (0.61) KCNH2GCKCNR2
SCHEMBL2642403 0.88 KCNH2 (0.45) KCNH2GCKCNR2GRM5CNR1
SCHEMBL2642041 0.88 KCNH2 (0.44) KCNH2GCK
SCHEMBL14423119 0.88 KCNH2 (0.44) KCNH2GCK
SCHEMBL14423120 0.88 KCNH2 (0.45) KCNH2GCKCNR2GRM5CNR1
SCHEMBL14436824 0.87 KCNH2 (0.59) KCNH2GCKCNR2CNR1
SCHEMBL2642204 0.87 KCNH2 (0.59) KCNH2GCKCNR2CNR1
SCHEMBL14423107 0.87 KCNH2 (0.59) KCNH2GCKCNR2CNR1
SCHEMBL14423118 0.87 KCNH2 (0.43) KCNH2GCKCNR2GRM5CNR1

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-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed