SCHEMBL5169409

SCHEMBL5169409

CCOC(=O)CCc1ccc(Oc2ccc(NC(COC)C(=O)OCc3ccccc3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.45
ACACA Q13085 4/20 0.45
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 7/20 0.40
OPRD1 P41143 7/20 0.40
OPRK1 P41145 5/20 0.40
LTA4H P09960 3/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
ROCK1 Q13464 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL4714704 0.91 ACACB (0.47) ACACBACACAMEN1PABPC1KMT2A
SCHEMBL3134853 0.83 NPC1 (0.48) ACACBACACAMEN1PABPC1KMT2A
SCHEMBL3138642 0.78 P2RX3 (0.45) ACACBOPRM1OPRD1OPRK1P2RX3
SCHEMBL3147179 0.77 RAB9A (0.49) ACACBOPRM1OPRD1OPRK1LTA4H
SCHEMBL3142629 0.77 CYP4F2 (0.48) ACACBACACAOPRM1OPRD1OPRK1
SCHEMBL3129071 0.76 OXTR (0.41) ACACBACACAOPRM1OPRD1OPRK1
SCHEMBL8913031 0.74 CYP4F2 (0.45) ACACBACACAKCNH2P2RX3
SCHEMBL3147539 0.73 P2RX3 (0.46) P2RX3
SCHEMBL3134816 0.71 FFAR1 (0.50) P2RX3
SCHEMBL3146690 0.71 CYP4F2 (0.51) ACACBACACAMEN1KMT2AOPRM1

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-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed