SCHEMBL5728560

SCHEMBL5728560

CCCCCNc1ccc2c(c1)CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.51
CRBN Q96SW2 1/20 0.48
CHEK1 O14757 2/20 0.45
FLT3 P36888 2/20 0.45
ABL1 P00519 1/20 0.44
BAZ2B Q9UIF8 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
HSD17B1 P14061 2/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK14 Q16539 1/20 0.41
MAOB P27338 1/20 0.41
ADRA2A P08913 1/20 0.40
KIT P10721 1/20 0.39
AVPR2 P30518 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 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
SCHEMBL11732033 0.87 BAZ2B (0.56) GPR119CRBNCHEK1FLT3BAZ2B
SCHEMBL11934983 0.84 CHEK1 (0.54) GPR119CRBNCHEK1FLT3BAZ2B
SCHEMBL13996624 0.83 BAZ2B (0.49) GPR119CHEK1FLT3BAZ2BMKNK1
SCHEMBL1931259 0.80 ABL1 (0.50) CRBNABL1HSD17B10MAPK14ADRA2A
SCHEMBL13565679 0.79 GPR119 (0.49) GPR119CRBNCHEK1FLT3BAZ2B
SCHEMBL13565661 0.79 GRIA1 (0.45) GPR119CRBNCHEK1FLT3BAZ2B
SCHEMBL7862708 0.76 ABL1 (0.42) CRBNABL1ADRA2AAVPR2
SCHEMBL3965967 0.75 PKM (0.50) GPR119MKNK1CASP1CASP7HSD17B10
SCHEMBL6060993 0.75 ALDH1A1 (0.49) ABL1ADRA2AAVPR2
SCHEMBL7788835 0.75 ABL1 (0.49) ABL1ADRA2AAVPR2STK17BSTK17A

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-1339683-B1 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-06-14 EP disclosed
EP-1339683-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-07-27 EP disclosed
EP-1339683-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2003-09-03 EP disclosed
WO-2002041835-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2002-05-30 WO disclosed