SCHEMBL16638188

SCHEMBL16638188

C=CNC(=O)OCCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.42
CHRM1 P11229 6/20 0.42
CHRM3 P20309 6/20 0.42
CHRM2 P08172 5/20 0.42
CHRM4 P08173 5/20 0.42
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNA7 P36544 3/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
APEX1 P27695 1/20 0.41
FABP3 P05413 1/20 0.39
HTR1A P08908 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA2A P08913 1/20 0.35
PGR P06401 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL2942450 0.81 TSHR (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL14750302 0.80 MVD (0.35) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL15745534 0.77 CHRM5 (0.62) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL25857265 0.76 SMN1; SMN2 (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL13376408 0.75 FABP3 (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL16558586 0.75 THRB (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL180655 0.75 THRB (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL16667567 0.75 THRB (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL11122001 0.74 TSHR (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL17370182 0.74 ZDHHC20 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4

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
US-9006305-B2 Biocompatible material VERTELLUS SPECIALTIES INC. (US) 2015-04-14 US disclosed