SCHEMBL27557977

SCHEMBL27557977

CS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnc(Cl)cn2)C2CCC(O)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.47
▸ GCK P35557 7/20 0.43
▸ OPRM1 P35372 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ FPR1 P21462 2/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ CDK2 P24941 2/20 0.31
▸ CCNE1 P24864 1/20 0.31

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
SCHEMBL27558117 0.93 KCNH2 (0.47) KCNH2GCKOPRM1SLC6A2SLC6A4
SCHEMBL27578456 0.90 GCK (0.50) KCNH2GCKOPRM1SLC6A2SLC6A4
SCHEMBL27557991 0.88 KCNH2 (0.45) KCNH2GCKOPRM1SLC6A2SLC6A4
SCHEMBL27616313 0.85 KCNH2 (0.51) KCNH2GCKSLC6A2SLC6A4SLC6A3
SCHEMBL2653752 0.83 GCK (0.50) KCNH2GCKOPRM1SLC6A2SLC6A4
SCHEMBL2642192 0.83 GCK (0.50) KCNH2GCKOPRM1SLC6A2SLC6A4
SCHEMBL27616367 0.83 KCNH2 (0.52) KCNH2GCKSLC6A2SLC6A4SLC6A3
SCHEMBL27635458 0.83 KCNH2 (0.50) KCNH2GCKOPRM1SLC6A2SLC6A4
SCHEMBL27616350 0.83 KCNH2 (0.48) KCNH2GCKSLC6A2SLC6A4SLC6A3
SCHEMBL27635452 0.82 KCNH2 (0.51) KCNH2GCKSLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1329386-C Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE CO LTD (CH) 2007-08-01 — — CN claimed
CN-1649859-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2005-08-03 — — CN claimed
CN-1329386-C Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE CO LTD (CH) 2007-08-01 — — CN disclosed
CN-1649859-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2005-08-03 — — CN disclosed
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