SCHEMBL3129331

SCHEMBL3129331

CC(C)(C)OC(=O)N1CCN(CCN(CC2CCCCC2)C(=O)C(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 0.42
GABRB2 P47870 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
DRD2 P14416 4/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3119504 0.79 RAB9A (0.43) MEN1KMT2ASMN1; SMN2GABRA1GABRG2
SCHEMBL3119512 0.76 RAB9A (0.53) MEN1KMT2ASMN1; SMN2GABRA1GABRG2
SCHEMBL7946321 0.76 TERT (0.37) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3115322 0.75 MC4R (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3127386 0.74 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16599242 0.72 GFER (0.62) KMT2ASMN1; SMN2ALDH1A1DRD2POLB
SCHEMBL7937764 0.70 RAB9A (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3121013 0.70 ALDH1A1 (0.40) KMT2AALDH1A1DRD2HTR2AHTR7
SCHEMBL4200462 0.69 HTR2A (0.43) MEN1KMT2ASMN1; SMN2GABRA1GABRG2
SCHEMBL3119104 0.69 MAPT (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO claimed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO claimed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed