SCHEMBL8733322

SCHEMBL8733322

C=C(CC)C(=O)OCC[N+](C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.55
CHRM1 P11229 6/20 0.55
CHRM3 P20309 6/20 0.55
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
CHRM2 P08172 5/20 0.53
CHRM4 P08173 5/20 0.53
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNA7 P36544 3/20 0.52
HTR1A P08908 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA1A P35348 1/20 0.52
PGR P06401 1/20 0.52
TBXA2R P21731 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA10 Q9GZZ6 1/20 0.52
CHRNA9 Q9UGM1 1/20 0.52

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
SCHEMBL2723329 0.86 CHRM5 (0.53) CHRM5CHRM1CHRM3MAPTBLM
Hydrochloric Acid SCHEMBL3516395 0.83 CHRM5 (0.50) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL57345 0.83 THRB (0.50) LMNATSHRACHE
SCHEMBL3786176 0.82 MAPT (0.59) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL16227465 0.82 CHRM5 (0.39) CHRM5CHRM1CHRM3MAPTBLM
Hydrochloric Acid SCHEMBL4131840 0.81 CHRM5 (0.49) CHRM5CHRM1CHRM3MAPTBLM
Hydrochloric Acid SCHEMBL7570907 0.81 CHRM5 (0.49) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL3786181 0.81 CHRM1 (0.52) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL6010463 0.80 CHRM1 (0.35) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL5200645 0.80 ACHE (0.54) CHRM5CHRM1CHRM3MAPTBLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706399-A4 COMPOSITIONS AND PROCESS FOR REMOVING BILE SALTS GELTEX PHARMA INC (US) 1998-08-12 EP disclosed
EP-0706399-A1 COMPOSITIONS AND PROCESS FOR REMOVING BILE SALTS GELTEX PHARMACEUTICALS, INC. (US) 1996-04-17 EP disclosed
WO-1994027620-A1 COMPOSITIONS AND PROCESS FOR REMOVING BILE SALTS GELTEX PHARMACEUTICALS, INC. (US) 1994-12-08 WO disclosed