SCHEMBL2645000

SCHEMBL2645000

CNC(=O)NC(=O)C(CC1CCCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.46
KCNH2 Q12809 2/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNQ2 O43526 1/20 0.39
METAP2 P50579 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL2646333 0.99 KCNH2 (0.47) SLC6A3KCNH2LMNACYP1A2CYP3A4
SCHEMBL2646335 0.99 KCNH2 (0.47) SLC6A3KCNH2LMNACYP1A2CYP3A4
SCHEMBL2646064 0.88 KCNH2 (0.46) SLC6A3KCNH2LMNACYP1A2CYP3A4
SCHEMBL2662652 0.87 KCNH2 (0.46) SLC6A3KCNH2LMNACYP1A2CYP3A4
SCHEMBL2645894 0.87 KCNH2 (0.46) SLC6A3KCNH2LMNACYP1A2CYP3A4
SCHEMBL2645899 0.87 KCNH2 (0.46) SLC6A3KCNH2LMNACYP1A2CYP3A4
SCHEMBL2644835 0.86 KCNH2 (0.64) KCNH2LMNA
SCHEMBL2645126 0.86 KCNH2 (0.64) KCNH2LMNA
SCHEMBL2662375 0.86 KCNH2 (0.64) KCNH2LMNA
SCHEMBL2648622 0.86 SLC6A3 (0.48) SLC6A3KCNH2LMNACYP1A2CYP3A4

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 8 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-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP claimed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO 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