SCHEMBL20718323

SCHEMBL20718323

CNC(=O)OCC(C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
MAPK1 P28482 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
NFKB1 P19838 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA7 P36544 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32

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
SCHEMBL967608 0.81
SCHEMBL18650145 0.81 CHRNB2 (0.48) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL20501573 0.80 CHRNB2 (0.44) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL22793416 0.80 TSHR (0.40) MAPK1CHRM5NFKB1CHRM3SMN1; SMN2
SCHEMBL9975571 0.79
SCHEMBL5244737 0.79
SCHEMBL15249606 0.78 CHRNB2 (0.46) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL22436233 0.77
SCHEMBL5246616 0.77 CHRNB2 (0.46) CHRNB2CHRNA4MAPK1CHRM2CHRM4
SCHEMBL13347915 0.76 CHRNB2 (0.45) CHRNB2CHRNA4MAPK1CHRM2CHRM4

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
WO-2019028084-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-07 WO disclosed