SCHEMBL8661016

SCHEMBL8661016

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
GBA1 P04062 1/20 0.34
FUCA1 P04066 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8661003 0.82 CHRM3 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6858149 0.81 OPRK1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8659950 0.77 L3MBTL1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26670253 0.77 MAPT (0.46) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL30577761 0.77 MAPT (0.46) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3942287 0.77 MAPT (0.46) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL8660376 0.76 RIPK1 (0.37) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL5378993 0.75 MAPT (0.50) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL27469314 0.75 MAPT (0.50) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL8662712 0.74 RIPK1 (0.38)

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