SCHEMBL11566010

SCHEMBL11566010

CCN(CC(C)C)C(=O)n1cnc(S(=O)(=O)N(CC)CC)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
FPR1 P21462 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
MMP3 P08254 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11561239 0.90 DPP4 (0.40) DPP4TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL11561990 0.88 DPP4 (0.48) DPP4TSHRHTTLMNA
SCHEMBL11564930 0.88 DPP4 (0.48) DPP4
SCHEMBL11563661 0.84 DPP4 (0.39) DPP4TAS2R14NPSR1SMN1; SMN2LMNA
SCHEMBL11564405 0.83 TSHR (0.38) DPP4TSHRALDH1A1MMP3SMN1; SMN2
SCHEMBL11564828 0.83 DPP4 (0.37) DPP4TSHRL3MBTL1ALDH1A1NPSR1
SCHEMBL11559269 0.82 DPP4 (0.39) DPP4TSHRHTTALDH1A1NPSR1
SCHEMBL11559286 0.82 DPP4 (0.35) DPP4TSHRMAPT
SCHEMBL11562054 0.82 DPP4 (0.52) DPP4TSHRALDH1A1MAPTHPGD
SCHEMBL11558806 0.82 DPP4 (0.35) DPP4TSHRHTTALDH1A1MAPT

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
US-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed