SCHEMBL20171114

SCHEMBL20171114

CN(C)N(C)C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.35
CHRM4 P08173 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRM1 P11229 4/20 0.35
CHRM3 P20309 4/20 0.35
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 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
SCHEMBL18537455 0.77 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL321052 0.75
SCHEMBL9004789 0.75 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28488909 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10223535 0.73 PHF8 (0.35) PHF8KDM2A
SCHEMBL28156859 0.71
SCHEMBL29271885 0.71
SCHEMBL24256512 0.69 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28279419 0.69 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12393191 0.69 CTSK (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772480-B2 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2020-12-09 EP disclosed
EP-2772480-B1 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2018-05-23 EP disclosed