SCHEMBL2358459

SCHEMBL2358459

CC(C)(C)OC(=O)N1CCN(CCBr)CC1.CC(C)(C)OC(=O)N1CCN(CCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ACKR3 P25106 3/20 0.41
NR1H2 P55055 1/20 0.40
TLR8 Q9NR97 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
EPHX2 P34913 1/20 0.39
ESRRB O95718 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRA P11474 1/20 0.39
ESRRG P62508 1/20 0.39

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
SCHEMBL1120511 0.94 USP2 (0.50) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL39756 0.92 USP2 (0.51) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL1920985 0.86 MEN1 (0.48) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL18928825 0.86 USP2 (0.45) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL1629939 0.84 USP2 (0.47) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16035255 0.84 USP2 (0.47) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL20742697 0.84 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL8242595 0.84 USP2 (0.61) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL28426061 0.83 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL214593 0.83 USP2 (0.49) USP2SMN1; SMN2CHRM2CHRM4CHRM1

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
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO disclosed