SCHEMBL2315529

SCHEMBL2315529

CCOc1ccc(C(=O)NC(C)(CI)C(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.56
PLTP P55058 7/20 0.50
RORC P51449 1/20 0.44
SCD O00767 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL2313671 0.90 PLTP (0.51) DGAT1PLTPRORCSCDADORA2A
SCHEMBL2360230 0.90 DGAT1 (0.59) DGAT1PLTPRORCSCDADORA2A
SCHEMBL2317776 0.90 DGAT1 (0.59) DGAT1PLTPRORCADORA2AADORA1
SCHEMBL2318313 0.87 PLTP (0.49) DGAT1PLTPRORCMAPTLMNA
SCHEMBL2316605 0.84 ADORA1 (0.52) DGAT1PLTPRORCADORA2AADORA1
SCHEMBL2317599 0.84 PLTP (0.49) DGAT1PLTPRORCSCDADORA1
SCHEMBL2316402 0.84 PLTP (0.51) DGAT1PLTPRORCADORA2AADORA1
SCHEMBL2314988 0.84 TRPV4 (0.54) DGAT1PLTPRORCADORA1KDM4E
SCHEMBL2318436 0.83 PLTP (0.50) DGAT1PLTPRORCADORA2AADORA1
SCHEMBL2313698 0.83 PLTP (0.49) DGAT1PLTPRORCADORA2AADORA1

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