SCHEMBL2363654

SCHEMBL2363654

Cn1ccnc1C(=O)NC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
PLTP P55058 4/20 0.45
DGAT1 O75907 2/20 0.45
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
XIAP P98170 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL2316532 0.84 RORC (0.49) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2485677 0.82 PLTP (0.51) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2364172 0.82 RORC (0.46) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL28792682 0.81 ALDH1A1 (0.49) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2316445 0.80 RORC (0.51) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2491127 0.80 NPC1 (0.48) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2488862 0.80 LMNA (0.56) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2320729 0.80 PLTP (0.47) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2318105 0.79 ALDH1A1 (0.49) RORCPLTPDGAT1ADORA2AADORA1
SCHEMBL2484995 0.79 PLTP (0.51) RORCPLTPDGAT1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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