SCHEMBL2316402

SCHEMBL2316402

CC(CI)(NC(=O)c1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLTP P55058 8/20 0.51
RORC P51449 1/20 0.44
NPC1 O15118 2/20 0.42
DGAT1 O75907 1/20 0.41
KMT2A Q03164 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
MEN1 O00255 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL2490496 0.90 PLTP (0.52) PLTPRORCNPC1DGAT1KMT2A
SCHEMBL2314202 0.89 PLTP (0.47) PLTPRORCNPC1DGAT1KMT2A
SCHEMBL2317599 0.88 PLTP (0.49) PLTPRORCNPC1DGAT1KMT2A
SCHEMBL2313071 0.87 PLTP (0.50) PLTPRORCNPC1DGAT1KMT2A
SCHEMBL2318436 0.86 PLTP (0.50) PLTPRORCNPC1DGAT1KMT2A
SCHEMBL2313698 0.86 PLTP (0.49) PLTPRORCNPC1DGAT1KMT2A
SCHEMBL2316924 0.85 LMNA (0.52) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2313671 0.85 PLTP (0.51) PLTPRORCNPC1DGAT1KMT2A
SCHEMBL2314988 0.85 TRPV4 (0.54) PLTPRORCDGAT1ADORA1ADORA3
SCHEMBL2319840 0.84 PLTP (0.48) PLTPRORCNPC1DGAT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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