SCHEMBL5248671

SCHEMBL5248671

COc1cccc(Nc2nnc(C(=O)Nc3ccccc3)o2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.64
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NLRP3 Q96P20 1/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
GRM4 Q14833 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51

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
SCHEMBL5249956 0.90 DGAT1 (0.69) DGAT1MAPTRAB9ALMNA
SCHEMBL4788254 0.85 DGAT1 (0.62) DGAT1MAPTMEN1KMT2ANPC1
SCHEMBL5302933 0.82 DGAT1 (0.57) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL4788842 0.82 DGAT1 (0.62) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3543801 0.82 DGAT1 (0.66) DGAT1MAPTKMT2ANPC1RAB9A
SCHEMBL3546422 0.82 DGAT1 (0.72) DGAT1
SCHEMBL3546423 0.82 DGAT1 (0.72) DGAT1
SCHEMBL5302124 0.82 DGAT1 (0.71) DGAT1MAPTMEN1KMT2ANPC1
SCHEMBL5249478 0.81 GRM4 (0.55) DGAT1MEN1KMT2AGRM4
SCHEMBL5254069 0.81 DGAT1 (0.58) DGAT1GRM4

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