SCHEMBL2317849

SCHEMBL2317849

CC(C)(NC(=O)c1ccc2occc2c1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLTP P55058 7/20 0.51
ADORA2A P29274 5/20 0.45
ADORA1 P30542 5/20 0.45
RORC P51449 1/20 0.45
DGAT1 O75907 2/20 0.44
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL13531700 0.86 PLTP (0.55) PLTPADORA2AADORA1RORCDGAT1
SCHEMBL2315607 0.84 SMN1; SMN2 (0.52) PLTPRORCDGAT1NPC1HPGD
SCHEMBL2315616 0.84 PLTP (0.51) PLTPRORCDGAT1NPC1HPGD
SCHEMBL2487506 0.83 PLTP (0.52) PLTPADORA2AADORA1RORCDGAT1
SCHEMBL2490496 0.83 PLTP (0.52) PLTPADORA2AADORA1RORCDGAT1
SCHEMBL2484995 0.83 PLTP (0.51) PLTPADORA2AADORA1RORCDGAT1
SCHEMBL2485677 0.83 PLTP (0.51) PLTPADORA2AADORA1RORCDGAT1
SCHEMBL2488081 0.82 PLTP (0.50) PLTPADORA2AADORA1RORCDGAT1
SCHEMBL2491014 0.82 ADORA1 (0.55) PLTPADORA2AADORA1RORCDGAT1
SCHEMBL2360230 0.82 DGAT1 (0.59) PLTPADORA2AADORA1RORCDGAT1

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