SCHEMBL3673736

SCHEMBL3673736

O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.74
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.48

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
SCHEMBL602088 0.85 DGAT1 (1.00) DGAT1
SCHEMBL3671454 0.79 DGAT1 (0.69) DGAT1POLBNPC1RAB9A
SCHEMBL3668679 0.77 DGAT1 (0.71) DGAT1LMNAPOLBNPC1RAB9A
SCHEMBL3670069 0.75 DGAT1 (0.72) DGAT1POLBNPC1RAB9A
SCHEMBL3671390 0.74 CSNK2A2 (0.65) DGAT1TDP1NPC1RAB9A
SCHEMBL3679276 0.73 DGAT1 (0.76) DGAT1
SCHEMBL3673344 0.72 DGAT1 (0.76) DGAT1NPC1RAB9A
SCHEMBL3668829 0.72 DGAT1 (0.74) DGAT1POLBTDP1NPC1RAB9A
SCHEMBL3674889 0.71 DGAT1 (0.76) DGAT1POLBL3MBTL1NPC1RAB9A
SCHEMBL3666190 0.71 DGAT1 (0.57) DGAT1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP claimed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO claimed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed