SCHEMBL13664688

SCHEMBL13664688

CC(C)(C)OC(=O)NCC1(CNc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
USP2 O75604 1/20 0.42
DRD2 P14416 5/20 0.42
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
IDO1 P14902 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 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
SCHEMBL13664819 0.78 STK17B (0.52) DRD2LMNAHTTIDO1
SCHEMBL13664868 0.78 STK17B (0.55) KMT2ADRD2MEN1LMNAHTT
SCHEMBL13664796 0.76 MEN1 (0.40) KMT2AMEN1LMNAHTTPOLB
SCHEMBL13664899 0.76 PCSK9 (0.48) KMT2AMEN1LMNAHTTPOLB
SCHEMBL13665292 0.74 DRD2 (0.35) KMT2AUSP2DRD2NPFFR1NPFFR2
SCHEMBL19932072 0.74 EGFR (0.57) KMT2AMEN1LMNAHTTPOLB
SCHEMBL16303890 0.73 EPHX1 (0.58) KMT2AMEN1LMNAHTTPOLB
SCHEMBL12118967 0.73 LMNA (0.70) KMT2AMEN1LMNAHTTPOLB
SCHEMBL6381128 0.72 SLC6A4 (0.50) DRD2
SCHEMBL21726289 0.72 SLC6A4 (0.44) DRD2NPFFR1NPFFR2IDO1SMN1; SMN2

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