SCHEMBL6561977

SCHEMBL6561977

Nc1ccc(C(CC2CCCC2)C(=O)Nc2n[c]cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.51
FFAR2 O15552 1/20 0.48
KCNH2 Q12809 1/20 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
SCHEMBL6563797 0.89 FFAR2 (0.62) GCKFFAR2KCNH2
SCHEMBL6561906 0.85 GCK (0.50) GCKFFAR2KCNH2
SCHEMBL6561897 0.84 FFAR2 (0.48) GCKFFAR2KCNH2
SCHEMBL2645293 0.81 GCK (0.74) GCKFFAR2KCNH2
SCHEMBL6563369 0.81 FFAR2 (0.48) GCKFFAR2KCNH2
SCHEMBL6563227 0.80 KCNH2 (0.49) GCKFFAR2KCNH2
SCHEMBL6562292 0.79 KCNH2 (0.63) GCKFFAR2KCNH2
SCHEMBL6561821 0.77 KCNH2 (0.58) GCKFFAR2KCNH2
SCHEMBL2646316 0.76 GCK (0.51) GCKFFAR2KCNH2
SCHEMBL6561839 0.76 GCK (0.48) GCKFFAR2KCNH2

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