SCHEMBL24629682

SCHEMBL24629682

CC(=O)N(C)CC(CN)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

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
SCHEMBL26535302 0.87 CHRM1 (0.38) CHRM1
SCHEMBL10058200 0.75
SCHEMBL1712997 0.71 CYP2C19 (0.37) CHRM1
SCHEMBL16506510 0.70 CHRM1 (0.35) CHRM1
SCHEMBL4703669 0.69
SCHEMBL4705148 0.69
SCHEMBL15302729 0.67 CHRM1 (0.41) CHRM1
SCHEMBL469484 0.67
SCHEMBL29307311 0.67
SCHEMBL8342267 0.67 LMNA (0.46) CHRM1

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-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 WO disclosed