SCHEMBL2646811

SCHEMBL2646811

CC(C(=O)NC(N)=O)(c1ccc(Cl)c(Cl)c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.41
SSTR4 P31391 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CCR2 P41597 3/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP3K14 Q99558 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
SCHEMBL9899952 0.80 SSTR4 (0.42) SLC6A3SSTR4TAS1R3TAS1R2MAPT
SCHEMBL1859833 0.74 NPC1 (0.43) MAPTLMNAHTTALDH1A1
SCHEMBL2651663 0.69 SLC6A3 (0.45) SLC6A3SSTR4TAS1R3TAS1R2SLC6A2
SCHEMBL27684040 0.68 TRPA1 (0.39) SLC6A3MAPTLMNASLC6A2SLC6A4
SCHEMBL5707538 0.66 GABBR2 (0.40)
SCHEMBL1627157 0.66 CNR1 (0.51) SLC6A3SSTR4MAPTSLC6A2HDAC3
SCHEMBL8443184 0.65 KMT2A (0.52) SSTR4MAPTLMNAHDAC3HDAC1
SCHEMBL30730263 0.65 HDAC3 (0.45) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL3553408 0.64 CHRM3 (0.48) SLC6A3SLC6A2SLC6A4
SCHEMBL27545642 0.64 TSHR (0.45) SLC6A3SSTR4MAPTLMNASLC6A2

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