SCHEMBL7149546

SCHEMBL7149546

CCCCOC1(OCCCC)CC(C)(CC)N(OCCc2ccccc2)C(C)(CC)C1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.32
SIGMAR1 Q99720 3/20 0.32
CTSK P43235 1/20 0.32
DHFR P00374 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL4980736 0.76 OPRM1 (0.32) OPRM1OPRD1OPRK1
SCHEMBL7142047 0.75 DHFR (0.31) DHFR
SCHEMBL4985897 0.67
SCHEMBL6032201 0.67 DHFR (0.39) DHFR
SCHEMBL4621770 0.61 DHFR (0.43) HRH3SIGMAR1DHFR
SCHEMBL9621057 0.59 SIGMAR1 (0.48) SIGMAR1OPRM1
SCHEMBL144042 0.59 ALDH1A1 (0.54) HRH3SIGMAR1
SCHEMBL6435277 0.59 MEN1 (0.42) DHFR
SCHEMBL28674344 0.58 MMP1 (0.38) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL21598302 0.58 ALDH1A1 (0.53) HRH3SIGMAR1

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-1343827-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH Ciba SC Holding AG (CH) 2003-09-17 EP disclosed
WO-2002048205-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed