SCHEMBL24318705

SCHEMBL24318705

CNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
NFKB1 P19838 1/20 0.50
CHRM3 P20309 1/20 0.50
MAPK1 P28482 1/20 0.50
CHRNA7 P36544 1/20 0.50
LMNA P02545 1/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 1/20 0.48
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2B P18089 1/20 0.39
OPRD1 P41143 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL9587596 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL24452809 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL19607953 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1104746 0.93
SCHEMBL10815020 0.91 CHRNB2 (0.58) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8403603 0.91 CHRNB2 (0.58) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL20317421 0.90 EPHX1 (0.58) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16640913 0.85 CHRNB2 (0.48) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16541245 0.83 CHRNB2 (0.65) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL5250584 0.83 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-20220079461-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND SILICON MATERIAL PARTICLE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-17 US disclosed