SCHEMBL6846205

SCHEMBL6846205

C#COc1cccc(C2(O)C(C)CCCC2C[As](C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.36
SLC6A2 P23975 11/20 0.36
OPRM1 P35372 6/20 0.36
SLC22A1 O15245 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6743971 0.85 SLC6A4 (0.50) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL7179104 0.80 SLC6A4 (0.45) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL4374880 0.70 SLC6A2 (0.66) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6743948 0.69 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6741554 0.69 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6741500 0.68 SLC6A4 (0.54) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6743000 0.67 SLC6A4 (0.50) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6742994 0.67 SLC6A2 (0.52) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL7172155 0.67 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL6744430 0.66 SLC6A4 (0.48) SLC6A4SLC6A2OPRM1SLC22A1CHRM2

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
EP-1322593-B1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP disclosed