SCHEMBL3668952

SCHEMBL3668952

O=C(Nc1nnc(COc2ccccc2)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.78
ALDH1A1 P00352 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 1/20 0.58
ABL1 P00519 1/20 0.57
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52

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
SCHEMBL605010 0.87 DGAT1 (1.00) DGAT1
SCHEMBL3673344 0.85 DGAT1 (0.76) DGAT1RXFP1RAB9A
SCHEMBL3679276 0.81 DGAT1 (0.76) DGAT1
SCHEMBL601293 0.79 DGAT1 (1.00) DGAT1
SCHEMBL3670539 0.79 DGAT1 (0.77) DGAT1RAB9A
SCHEMBL3670233 0.79 DGAT1 (0.77) DGAT1
SCHEMBL3674728 0.78 DGAT1 (0.77) DGAT1ALDH1A1RXFP1RAB9ALMNA
SCHEMBL3672702 0.78 DGAT1 (0.59) DGAT1ALDH1A1RXFP1RAB9A
SCHEMBL3671454 0.77 DGAT1 (0.69) DGAT1POLBRAB9A
SCHEMBL3674889 0.77 DGAT1 (0.76) DGAT1ALDH1A1RXFP1POLBRAB9A

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