SCHEMBL2313071

SCHEMBL2313071

CC(CI)(NC(=O)c1ccc(C(F)(F)F)c(F)c1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLTP P55058 8/20 0.50
RORC P51449 1/20 0.42
DGAT1 O75907 2/20 0.41
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NTRK1 P04629 5/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2490168 0.90 PLTP (0.51) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2318436 0.88 PLTP (0.50) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2316402 0.87 PLTP (0.51) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2314202 0.86 PLTP (0.47) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2315059 0.85 PLTP (0.47) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2363571 0.85 PLTP (0.43) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2319840 0.85 PLTP (0.48) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2313671 0.84 PLTP (0.51) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2313698 0.83 PLTP (0.49) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2320700 0.83 PLTP (0.49) PLTPRORCDGAT1ADORA2AADORA1

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