SCHEMBL13565679

SCHEMBL13565679

CC(C)(C)S(=O)(=O)NCCCCCNc1ccc2c(c1)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.49
CHEK1 O14757 2/20 0.42
FLT3 P36888 2/20 0.42
MAOB P27338 3/20 0.40
CNR2 P34972 2/20 0.38
BAZ2B Q9UIF8 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
KIT P10721 1/20 0.37
CRBN Q96SW2 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL13565414 0.84 HTT (0.39) GPR119CNR2ITGB3ITGA2B
SCHEMBL13565661 0.83 GRIA1 (0.45) GPR119CHEK1FLT3MAOBBAZ2B
SCHEMBL10113550 0.83 BAZ2B (0.44) GPR119BAZ2BMAPK14
SCHEMBL11935304 0.81 ALDH1A1 (0.41) CNR2
SCHEMBL5728560 0.79 GPR119 (0.51) GPR119CHEK1FLT3MAOBBAZ2B
SCHEMBL11934983 0.78 CHEK1 (0.54) GPR119CHEK1FLT3MAOBBAZ2B
SCHEMBL13565553 0.78 PTPRC (0.44)
SCHEMBL13564882 0.77 CNR2 (0.44) CNR2HSD17B10
SCHEMBL13566099 0.77 CNR2 (0.40) GPR119CNR2
SCHEMBL13565161 0.76 CNR2 (0.40) CNR2

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed