SCHEMBL2316532

SCHEMBL2316532

CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.49
PLTP P55058 4/20 0.48
ADORA2A P29274 5/20 0.46
ADORA1 P30542 5/20 0.46
ADORA3 P0DMS8 3/20 0.46
ADORA2B P29275 2/20 0.46
DGAT1 O75907 2/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
GRM4 Q14833 1/20 0.41
XIAP P98170 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL28792682 0.91 ALDH1A1 (0.49) RORCPLTPADORA2AADORA1ADORA3
SCHEMBL2485677 0.86 PLTP (0.51) RORCPLTPADORA2AADORA1ADORA3
SCHEMBL2364172 0.86 RORC (0.46) RORCPLTPADORA2AADORA1DGAT1
SCHEMBL2363654 0.84 RORC (0.46) RORCPLTPADORA2AADORA1DGAT1
SCHEMBL2488862 0.84 LMNA (0.56) RORCPLTPADORA2AADORA1ADORA3
SCHEMBL2484995 0.83 PLTP (0.51) RORCPLTPADORA2AADORA1DGAT1
SCHEMBL2487360 0.82 DGAT1 (0.63) RORCPLTPADORA2AADORA1ADORA3
SCHEMBL2316643 0.82 PLTP (0.56) RORCPLTPADORA2AADORA1ADORA3
SCHEMBL2316445 0.82 RORC (0.51) RORCPLTPADORA2AADORA1DGAT1
SCHEMBL13531700 0.82 PLTP (0.55) RORCPLTPADORA2AADORA1ADORA3

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-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2349484-A2 HETEROARYL DERIVATIVES AS DGAT1 INHIBITORS Novartis AG (CH) 2011-08-03 EP disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 WO disclosed