SCHEMBL20056863

SCHEMBL20056863

CCC(C)C(=O)N(C(C)=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.36
CHRM4 P08173 4/20 0.36
CHRM5 P08912 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36

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
SCHEMBL12534630 0.78 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20100449 0.77
SCHEMBL20278334 0.74 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7884699 0.74 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23079085 0.73 TSHR (0.32)
SCHEMBL18914214 0.71 TSHR (0.31)
SCHEMBL13851042 0.71 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18907364 0.71 TSHR (0.31)
SCHEMBL18909747 0.71 TSHR (0.31)
SCHEMBL861919 0.70

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-3309162-A1 TARGETED CONJUGATES OF PYRROLOBENZODIAZEPINES Seattle Genetics, Inc. (US) 2018-04-18 EP disclosed