SCHEMBL2318323

SCHEMBL2318323

O=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1)C1CC(F)CN1C(=O)CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
PLTP P55058 6/20 0.41
DGAT1 O75907 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFD P00746 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 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
SCHEMBL2485500 1.00 RORC (0.42) RORCPLTPDGAT1MAPTALDH1A1
SCHEMBL2486886 0.86 PLTP (0.46) RORCPLTPDGAT1ALDH1A1
SCHEMBL2489833 0.86 PLTP (0.46) RORCPLTPDGAT1ALDH1A1
SCHEMBL2488142 0.86 PLTP (0.46) RORCPLTPDGAT1ALDH1A1ADORA2A
SCHEMBL2313309 0.86 PLTP (0.46) RORCPLTPDGAT1ALDH1A1
SCHEMBL2318053 0.86 PLTP (0.46) RORCPLTPDGAT1ALDH1A1ADORA2A
SCHEMBL2487557 0.86 PLTP (0.46) RORCPLTPDGAT1ALDH1A1ADORA2A
SCHEMBL2487013 0.84 RORC (0.42) RORCPLTPDGAT1MAPTALDH1A1
SCHEMBL2313536 0.84 RORC (0.42) RORCPLTPDGAT1MAPTALDH1A1
SCHEMBL2315462 0.82 RORC (0.45) RORCPLTPDGAT1MAPTALDH1A1

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 1 patent. 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