SCHEMBL13664724

SCHEMBL13664724

CC1CN(C(=O)OC(C)(C)C)CC(=O)N(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 2/20 0.49
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LIPE Q05469 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADAM17 P78536 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ESR2 Q92731 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL13664725 0.80 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL13664866 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL13664798 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL13664895 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL13664691 0.76 MAPT (0.50) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL26629245 0.75 NR1H2 (0.46) SLC6A2SLC6A4ALDH1A1MAPTSMN1; SMN2
SCHEMBL13664818 0.74 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL25591596 0.74 MAPT (0.50) MAPTSMN1; SMN2LIPEMAPK1HTT
SCHEMBL3608564 0.74 USP30 (0.54) HPGDALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL30211878 0.74 ADAMTS5 (0.51) MAPTSMN1; SMN2ADAM17LMNAGPR119

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed