SCHEMBL13744265

SCHEMBL13744265

CCOC(=O)C1(N)Cc2ccccc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
OPRM1 P35372 5/20 0.43
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
ADCY8 P40145 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL653420 0.82 BRD4 (0.60) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL13090519 0.78 MAPT (0.42) BRD4LMNAALDH1A1MAPTGAA
SCHEMBL1990722 0.78 BRD4 (0.45) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL29715369 0.77 BRD4 (0.51) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL4063807 0.77 BRD4 (0.51) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL23099736 0.77 BRD4 (0.51) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1323798 0.76 POLB (0.46) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL560921 0.76 POLB (0.46) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL498176 0.76 POLB (0.46) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7350858 0.76 BRD4 (0.50) BRD4OPRM1OPRD1OPRK1SLC22A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098901-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed