SCHEMBL2313698

SCHEMBL2313698

CC(CI)(NC(=O)c1ccncc1)C(=O)Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLTP P55058 6/20 0.49
RORC P51449 1/20 0.47
DGAT1 O75907 2/20 0.42
ROCK2 O75116 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ALDH1A1 P00352 4/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2318436 0.91 PLTP (0.50) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2316924 0.90 LMNA (0.52) PLTPRORCDGAT1ROCK2ADORA2A
SCHEMBL2485677 0.89 PLTP (0.51) PLTPRORCDGAT1ROCK2ADORA2A
SCHEMBL2316605 0.89 ADORA1 (0.52) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2320700 0.89 PLTP (0.49) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2317776 0.87 DGAT1 (0.59) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2319840 0.87 PLTP (0.48) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2314988 0.86 TRPV4 (0.54) PLTPRORCDGAT1ADORA1ADORA3
SCHEMBL2316402 0.86 PLTP (0.51) PLTPRORCDGAT1ADORA2AADORA1
SCHEMBL2313671 0.85 PLTP (0.51) 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