SCHEMBL2647032

SCHEMBL2647032

NC(=O)C(CC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM4 Q14833 1/20 0.43
VCAM1 P19320 3/20 0.42
MEN1 O00255 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 6/20 0.39
PSMD14 O00487 1/20 0.39
HTT P42858 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2646916 0.90 GRM8 (0.47) KMT2AGRM8GRM6GRM4VCAM1
SCHEMBL2646355 0.85 KMT2A (0.47) KMT2AVCAM1MEN1APOBEC3AAPOBEC3G
SCHEMBL2645072 0.83 SLC6A3 (0.46) CYP1A2CYP3A4
SCHEMBL2645073 0.83 SLC6A3 (0.46) CYP1A2CYP3A4
SCHEMBL2646911 0.82 KCNH2 (0.44) KMT2AVCAM1MEN1POLBMAPT
SCHEMBL27481679 0.82 MAPT (0.36) KMT2AMEN1MAPTPSMD14
SCHEMBL2645924 0.82 KCNH2 (0.41) KMT2AGRM8GRM6GRM4VCAM1
SCHEMBL2662613 0.82 KCNH2 (0.41) KMT2AGRM8GRM6GRM4VCAM1
SCHEMBL2647313 0.78 KCNH2 (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL2658412 0.78 KCNH2 (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT

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 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
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