SCHEMBL25790978

SCHEMBL25790978

CCCN(CC(C)C)C(C)=N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
CA1 P00915 5/20 0.38
MLYCD O95822 1/20 0.33
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
FDPS P14324 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
SCHEMBL18287011 0.80 CA12 (0.37) CA12CA2CA9CA1MLYCD
SCHEMBL9481808 0.80 CA12 (0.52) CA12CA2CA9CA1GRIN2D
SCHEMBL5208268 0.77 CA12 (0.46) CA12CA2CA9CA1MLYCD
SCHEMBL19364754 0.77 CA12 (0.38) CA12CA2CA9CA1MLYCD
SCHEMBL29210355 0.73 CA12 (0.46) CA12CA2CA9CA1MLYCD
SCHEMBL17471893 0.71 ALDH1A1 (0.48) CA12CA2CA9CA1GRIN2D
SCHEMBL10840313 0.71 CYP1A2 (0.31) CA12CA2CA9CA1MAPK1
SCHEMBL24464751 0.71 CA12 (0.45) CA12CA2CA9CA1MLYCD
SCHEMBL19596149 0.71 CA12 (0.45) CA12CA2CA9CA1MLYCD
SCHEMBL20003079 0.71 CA12 (0.37) CA12CA2CA9CA1MLYCD

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-2023115165-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed