SCHEMBL2646366

SCHEMBL2646366

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.41
PLK1 P53350 1/20 0.36
FFAR2 O15552 1/20 0.35
KCNH2 Q12809 3/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CTSK P43235 1/20 0.34
CPB2 Q96IY4 1/20 0.34
LMNA P02545 2/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
HPGD P15428 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
MAPK1 P28482 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
SCHEMBL2646653 0.86 GCK (0.38) GCKFFAR2KCNH2METAP2METAP1
SCHEMBL2645772 0.86 POLB (0.43) GCKFFAR2KCNH2EPHX1EPHX2
SCHEMBL2645915 0.85 FFAR2 (0.49) GCKFFAR2KCNH2EPHX1EPHX2
SCHEMBL2645092 0.85 BCHE (0.43) GCKEPHX1EPHX2CTSKLMNA
SCHEMBL27468594 0.84 GCK (0.37) GCKFFAR2KCNH2EPHX1EPHX2
SCHEMBL2647928 0.83 MME (0.47) GCKALDH1A1CTSKMMEACE
SCHEMBL2645398 0.82 GCK (0.60) GCKKCNH2
SCHEMBL2662800 0.82 GCK (0.40) GCKFFAR2KCNH2EPHX1EPHX2
SCHEMBL2646254 0.82 TSHR (0.43) GCKFFAR2EPHX1CTSK
SCHEMBL28819817 0.82 SLC6A4 (0.40) GCKKCNH2EPHX1EPHX2ALDH1A1

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 7 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
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