SCHEMBL2363571

SCHEMBL2363571

CC(CI)(NC(=O)c1cccc(C(F)(F)F)c1F)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLTP P55058 7/20 0.43
RORC P51449 2/20 0.42
DGAT1 O75907 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
XIAP P98170 1/20 0.35

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
SCHEMBL2491471 0.90 RORC (0.45) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2313071 0.85 PLTP (0.50) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2318436 0.84 PLTP (0.50) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2316639 0.83 DGAT1 (0.46) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2316402 0.83 PLTP (0.51) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2314202 0.82 PLTP (0.47) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2315059 0.81 PLTP (0.47) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2313698 0.81 PLTP (0.49) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2319840 0.80 PLTP (0.48) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2316924 0.78 LMNA (0.52) 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