SCHEMBL15062093

SCHEMBL15062093

CNC(=O)OCCN(C)I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.52
CHRNA4 P43681 6/20 0.52
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
CHRNA7 P36544 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
EPHX1 P07099 1/20 0.47
BCHE P06276 1/20 0.40
MAPT P10636 2/20 0.35
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL837536 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL10401636 0.81 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12780602 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16541245 0.77 CHRNB2 (0.65) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL21814500 0.76 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16024869 0.76 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL18967264 0.76
SCHEMBL15211959 0.75 EPHX1 (0.57) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12193523 0.75 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL17551415 0.75 CHRNB2 (0.47) 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
EP-1608369-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-06-26 EP disclosed