SCHEMBL3670539

SCHEMBL3670539

O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.77
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL3670233 0.88 DGAT1 (0.77) DGAT1
SCHEMBL603148 0.87 DGAT1 (1.00) DGAT1
SCHEMBL3673344 0.86 DGAT1 (0.76) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3673362 0.84 DGAT1 (0.76) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3670116 0.83 DGAT1 (0.77) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3674889 0.80 DGAT1 (0.76) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3665909 0.80 RXFP1 (0.66) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3668952 0.79 DGAT1 (0.78) DGAT1RAB9A
SCHEMBL3669882 0.79 DGAT1 (0.77) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3679276 0.79 DGAT1 (0.76) DGAT1

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