SCHEMBL2646653

SCHEMBL2646653

CNC(=O)NC(=O)C(CC1CCCC1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.38
PDE2A O00408 9/20 0.36
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTPRZ1 P23471 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL27468594 0.89 GCK (0.37) GCKKCNH2HSD17B1HSD17B2CTSL
SCHEMBL2646366 0.86 GCK (0.41) GCKKCNH2METAP2METAP1FFAR2
SCHEMBL27468595 0.83 RXFP1 (0.30) GCKSLC6A4
SCHEMBL2645772 0.82 POLB (0.43) GCKKCNH2FFAR2
SCHEMBL2645380 0.81 SLC6A3 (0.40) GCKPDE2ASLC6A2SLC6A4SLC6A3
SCHEMBL2645656 0.81 GCK (0.46) GCKKCNH2
SCHEMBL2645915 0.81 FFAR2 (0.49) GCKKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2645092 0.81 BCHE (0.43) GCKCTSLCTSSMETAP2METAP1
SCHEMBL2647248 0.81 APP (0.41) GCKPDE2ASLC6A2SLC6A4SLC6A3
SCHEMBL2647928 0.79 MME (0.47) GCKCTSLCTSSMETAP2METAP1

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 11 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
CN-1151140-C Glucokinase activators - 2004-05-26 CN 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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 CN 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
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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN 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