SCHEMBL5249478

SCHEMBL5249478

COc1cc(Nc2nnc(C(=O)Nc3ccccc3)o2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.55
HDAC6 Q9UBN7 1/20 0.55
DGAT1 O75907 15/20 0.53
SOAT1 P35610 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL5254069 0.87 DGAT1 (0.58) GRM4DGAT1SOAT1
SCHEMBL5249259 0.84 DGAT1 (0.60) DGAT1SOAT1
SCHEMBL3546540 0.81 DGAT1 (0.71) DGAT1SOAT1
SCHEMBL3546538 0.81 DGAT1 (0.71) DGAT1SOAT1
SCHEMBL5248671 0.81 DGAT1 (0.64) GRM4DGAT1MEN1KMT2A
SCHEMBL5302124 0.80 DGAT1 (0.71) DGAT1SOAT1MEN1KMT2A
SCHEMBL4788254 0.79 DGAT1 (0.62) DGAT1MEN1KMT2A
SCHEMBL3928136 0.78 DGAT1 (0.69) DGAT1SOAT1
SCHEMBL5300455 0.77 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL5298516 0.77 DGAT1 (0.72) DGAT1SOAT1MEN1KMT2A

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-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed