SCHEMBL11278642

SCHEMBL11278642

CC(C)(C)OOC1(OOC(C)(C)C)CCN(CCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
ACHE P22303 1/20 0.49
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
OPRM1 P35372 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11277475 0.87 CYP3A4 (0.51) SIGMAR1ACHEOPRM1
SCHEMBL11279763 0.81 CYP3A4 (0.45) SIGMAR1OPRM1
SCHEMBL9373500 0.76 SLC6A3 (0.54) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL11283216 0.73 CYP2D6 (0.49)
SCHEMBL21726765 0.73 SLC6A3 (0.59) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL14407778 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL6056974 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL7264546 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL13150782 0.73 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEHTR1ADRD2
SCHEMBL27638865 0.73 SLC6A3 (0.63) SLC6A3SIGMAR1ACHEHTR1ADRD2

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-0056699-A1 Organic peroxides and use of same AUSIMONT S.p.A. (IT) 1982-07-28 EP claimed
EP-0056699-A1 Organic peroxides and use of same AUSIMONT S.p.A. (IT) 1982-07-28 EP disclosed