SCHEMBL2649672

SCHEMBL2649672

NC(=O)NC(=O)C(CC1CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.43
FFAR2 O15552 1/20 0.42
KCNH2 Q12809 2/20 0.41
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNQ2 O43526 1/20 0.38
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL2648221 0.95 SLC6A3 (0.44) SLC6A3FFAR2KCNH2SLC6A2SLC6A4
SCHEMBL2647203 0.95 SLC6A3 (0.47) SLC6A3KCNH2SLC6A2SLC6A4LMNA
SCHEMBL2648622 0.94 SLC6A3 (0.48) SLC6A3KCNH2SLC6A2SLC6A4LMNA
SCHEMBL2646813 0.94 SLC6A3 (0.48) SLC6A3KCNH2SLC6A2SLC6A4LMNA
SCHEMBL6562359 0.82 KCNH2 (0.46) SLC6A3FFAR2KCNH2SLC6A2SLC6A4
SCHEMBL6562304 0.82 KCNH2 (0.46) SLC6A3FFAR2KCNH2SLC6A2SLC6A4
SCHEMBL2646333 0.80 KCNH2 (0.47) SLC6A3KCNH2SLC6A2SLC6A4LMNA
SCHEMBL2646335 0.80 KCNH2 (0.47) SLC6A3KCNH2SLC6A2SLC6A4LMNA
SCHEMBL2645072 0.80 SLC6A3 (0.46) SLC6A3KCNH2SLC6A2SLC6A4LMNA
SCHEMBL2645073 0.80 SLC6A3 (0.46) SLC6A3KCNH2SLC6A2SLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
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 claimed
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