SCHEMBL19686575

SCHEMBL19686575

COC1CN(C(=O)OC(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
PDE4B Q07343 3/20 0.39
TSHR P16473 2/20 0.36
HDAC2 Q92769 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
HSD11B1 P28845 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
SCHEMBL19686595 0.84 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL12206742 0.79 HDAC2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL10139547 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL26294765 0.79 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL12206738 0.79 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL609844 0.79 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL19686899 0.79 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL23962871 0.78 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL609845 0.78 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL30674446 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3TSHR

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed