SCHEMBL27557991

SCHEMBL27557991

CS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnc(Cl)cn2)C2CCC(=NO)CC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.45
▸ GCK P35557 6/20 0.43
▸ FPR1 P21462 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL27557961 0.93 KCNH2 (0.45) KCNH2GCKFPR2SLC6A2SLC6A4
SCHEMBL27579947 0.91 GCK (0.43) KCNH2GCKHTTNPSR1
SCHEMBL27578456 0.91 GCK (0.50) KCNH2GCKFPR1FPR2SLC6A2
SCHEMBL28747106 0.89 GCK (0.43) KCNH2GCKHTTNPSR1
SCHEMBL27557977 0.88 KCNH2 (0.47) KCNH2GCKFPR1FPR2SLC6A2
SCHEMBL2653752 0.84 GCK (0.50) KCNH2GCKSLC6A2SLC6A4SLC6A3
SCHEMBL2642192 0.84 GCK (0.50) KCNH2GCKSLC6A2SLC6A4SLC6A3
SCHEMBL2642140 0.82 GCK (0.48) KCNH2GCKHTTNPSR1
SCHEMBL27616313 0.82 KCNH2 (0.51) KCNH2GCKSLC6A2SLC6A4SLC6A3
SCHEMBL2642212 0.82 KCNH2 (0.64) KCNH2GCK

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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