SCHEMBL21728663

SCHEMBL21728663

CC(CC=O)C(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
NR4A2 P43354 1/20 0.30

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
SCHEMBL20224895 0.82 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11523284 0.79 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22963880 0.79
SCHEMBL24380523 0.77 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19370657 0.77 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14261336 0.77 PRMT3 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23369275 0.76
SCHEMBL21237723 0.74 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24279791 0.74 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22688508 0.74 PAOX (0.32)

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-2910573-B1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO CO LTD (JP) 2020-02-19 EP disclosed