SCHEMBL2836839

SCHEMBL2836839

Cc1nc(CCCNC(=O)O)cc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
CXCL12 P48061 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
KMO O15229 1/20 0.41
KMT2A Q03164 1/20 0.41
VCP P55072 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
POLB P06746 1/20 0.39
DHODH Q02127 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2841068 0.96 CTRC (0.44) CTRCTP53MAPTCXCL12KDM4E
SCHEMBL2839700 0.92 KDM4E (0.48) CTRCTP53MAPTCXCL12KDM4E
SCHEMBL2842751 0.85 CTRC (0.42) CTRCTP53MAPTKDM4EHPGD
SCHEMBL2413838 0.82 POLB (0.40) CTRCTP53MAPTCXCL12KDM4E
SCHEMBL2838220 0.82 CTRC (0.41) CTRCTP53MAPTKDM4EHPGD
SCHEMBL2842168 0.82 KMO (0.51) CTRCTP53MAPTKDM4EHPGD
SCHEMBL2411224 0.79 POLB (0.40) CTRCTP53MAPTCXCL12KDM4E
SCHEMBL2843229 0.79 PDE4B (0.43) CTRCTP53MAPTKDM4EHPGD
SCHEMBL2840908 0.79 KMO (0.50) CTRCTP53MAPTKDM4EHPGD
SCHEMBL2839899 0.78 KDM4E (0.45) CTRCTP53MAPTKDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP disclosed
EP-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed