SCHEMBL2487161

SCHEMBL2487161

O=C(c1ccccc1)c1sc(NC(=O)[C@@H]2CCCN2C(=O)CC2CCCC2)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.55
SMN1; SMN2 Q16637 8/20 0.51
NPSR1 Q6W5P4 6/20 0.51
MAPT P10636 5/20 0.51
HTT P42858 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ADORA1 P30542 6/20 0.50
ADORA2A P29274 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 4/20 0.49
ADORA2B P29275 2/20 0.49
ALOX5 P09917 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2486886 0.84 PLTP (0.46) ALDH1A1
SCHEMBL2313309 0.84 PLTP (0.46) ALDH1A1
SCHEMBL2489833 0.84 PLTP (0.46) ALDH1A1
SCHEMBL2486771 0.83 ADORA3 (0.57) ADORA3SMN1; SMN2NPSR1MAPTHTT
SCHEMBL2485106 0.83 ADORA3 (0.57) ADORA3SMN1; SMN2NPSR1MAPTHTT
SCHEMBL2318053 0.82 PLTP (0.46) ADORA1ADORA2AALDH1A1
SCHEMBL2487557 0.82 PLTP (0.46) ADORA1ADORA2AALDH1A1
SCHEMBL2488142 0.82 PLTP (0.46) ADORA1ADORA2AALDH1A1
SCHEMBL2317236 0.81 L3MBTL1 (0.56) ADORA3SMN1; SMN2NPSR1MAPTHTT
SCHEMBL2490286 0.81 L3MBTL1 (0.56) ADORA3SMN1; SMN2NPSR1MAPTHTT

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-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed