SCHEMBL2646655

SCHEMBL2646655

COC(=O)C(CC1CCCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.63
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.45
GCK P35557 1/20 0.42

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
SCHEMBL2648953 1.00 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4LMNACYP1A2
SCHEMBL2648746 0.99 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4LMNACYP1A2
SCHEMBL2647809 0.96 SLC6A3 (0.59) SLC6A3SLC6A2SLC6A4LMNAKCNH2
SCHEMBL2650793 0.93 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL1857225 0.88 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL29274096 0.88 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL2645171 0.85 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4KCNH2GCK
SCHEMBL2646278 0.84 KCNH2 (0.62) SLC6A3SLC6A2SLC6A4KCNH2GCK
SCHEMBL21882880 0.84 KCNH2 (0.62) SLC6A3SLC6A2SLC6A4KCNH2GCK
SCHEMBL21820769 0.84 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4KCNH2GCK

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
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed