SCHEMBL8661003

SCHEMBL8661003

COCCOCCOCCN1CC(O)CC1C(OC)(OC)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.33
TK2 O00142 1/20 0.32
SLC6A1 P30531 3/20 0.31
SLC6A11 P48066 1/20 0.31
CHRM2 P08172 5/20 0.30
CHRM4 P08173 5/20 0.30
CHRM5 P08912 5/20 0.30
CHRM1 P11229 5/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL8661016 0.82 MAPT (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL8660036 0.81 RIPK1 (0.34) CHRM3SLC6A1SLC6A11ALOX5
SCHEMBL8659950 0.74 L3MBTL1 (0.32) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL8660376 0.73 RIPK1 (0.37) CHRM3SLC6A1SLC6A11CHRM2CHRM4
SCHEMBL6858149 0.72 OPRK1 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL8661346 0.71 RIPK1 (0.31) ALDH1A1
SCHEMBL8662712 0.71 RIPK1 (0.38)
SCHEMBL8662095 0.71 PIK3CD (0.40)
SCHEMBL8659654 0.71 RIPK1 (0.36) SLC6A1SLC6A11ALDH1A1
SCHEMBL8661543 0.70 MEN1 (0.31) ALDH1A1

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
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed