SCHEMBL27465639

SCHEMBL27465639

CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(C[SH](=O)=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.42
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ GCK P35557 8/20 0.35
▸ SLC6A3 Q01959 4/20 0.33
▸ FFAR2 O15552 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32

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
SCHEMBL27465641 1.00 KCNH2 (0.42) KCNH2METAP2METAP1GCKSLC6A3
SCHEMBL27482751 0.90 KCNH2 (0.41) KCNH2METAP2METAP1GCKSLC6A3
SCHEMBL27482768 0.88 KCNH2 (0.42) KCNH2METAP2METAP1GCKLMNA
SCHEMBL27482381 0.88 KCNH2 (0.35) KCNH2METAP2METAP1GCKEPHX1
SCHEMBL2646333 0.86 KCNH2 (0.47) KCNH2SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL2646335 0.86 KCNH2 (0.47) KCNH2SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL27483468 0.85 KCNH2 (0.35) KCNH2METAP2METAP1GCKEPHX2
SCHEMBL2645000 0.85 SLC6A3 (0.46) KCNH2METAP2SLC6A3EPHX1EPHX2
SCHEMBL27465640 0.84 GCK (0.34) KCNH2GCK
SCHEMBL27466220 0.83 GCK (0.39) KCNH2METAP2METAP1GCKFFAR2

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-1151140-C Glucokinase activators - 2004-05-26 — — CN claimed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN claimed
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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