SCHEMBL13007447

SCHEMBL13007447

CC(C)CC(C)(NC(=O)Nc1ccccc1NCCN1CCOCC1)C(=O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.41
TACR3 P29371 2/20 0.41
TACR1 P25103 1/20 0.41
LMNA P02545 3/20 0.41
MALT1 Q9UDY8 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 4/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCL3 P20749 3/20 0.38

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
SCHEMBL13007442 0.75 CNR2 (0.44) SHMT2TACR3LMNAMALT1POLB
SCHEMBL13007444 0.75 CNR2 (0.46) SHMT2TACR3TACR1LMNAMALT1
SCHEMBL13007102 0.75 CNR2 (0.54) SHMT2TACR3TACR1LMNAMALT1
SCHEMBL13007330 0.75 SHMT2 (0.45) SHMT2TACR3LMNAMALT1KMT2A
SCHEMBL14260931 0.74 CNR2 (0.56) SHMT2TACR3TACR1LMNAKMT2A
SCHEMBL738519 0.73 CNR2 (0.65) CNR2
SCHEMBL14261344 0.73 POLB (0.46) SHMT2TACR3TACR1LMNAMALT1
SCHEMBL13007374 0.73 CNR2 (0.55) SHMT2TACR3TACR1LMNAMALT1
SCHEMBL13007414 0.73 SHMT2 (0.45) SHMT2TACR3LMNAMALT1KMT2A
SCHEMBL13007109 0.72 CNR2 (0.43) SHMT2TACR3TACR1LMNAMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed