SCHEMBL28757964

SCHEMBL28757964

CC(C)(C)OC(=O)NC1CC(N2CCOC2=O)CCC1OC(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BCHE P06276 13/20 0.41
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ NAMPT P43490 1/20 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
SCHEMBL27640881 0.83 KMT2A (0.48) KMT2AL3MBTL1BCHECHRM2CHRM1
SCHEMBL3304986 0.82 CPB1 (0.45) KMT2AL3MBTL1
SCHEMBL3304983 0.82 CPB1 (0.45) KMT2AL3MBTL1
SCHEMBL27621690 0.75 BCHE (0.46) KMT2AL3MBTL1BCHE
SCHEMBL28757962 0.73 BCHE (0.42) KMT2AL3MBTL1BCHE
SCHEMBL27621662 0.73 BCHE (0.42) KMT2AL3MBTL1BCHE
SCHEMBL27658578 0.72 BCHE (0.46) KMT2AL3MBTL1BCHENAMPT
SCHEMBL22859904 0.71 CTSK (0.46) KMT2AL3MBTL1
SCHEMBL22859897 0.71 CTSK (0.45) KMT2AL3MBTL1
SCHEMBL3304990 0.70 CTSL (0.40) KMT2AL3MBTL1

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
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 — — CN disclosed
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