SCHEMBL5498853

SCHEMBL5498853

O=C(OC(=O)N1CCC(N2CCC[N]C2=O)CC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
L3MBTL3 Q96JM7 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 1/20 0.35
NPC1 O15118 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL5499269 0.82 L3MBTL1 (0.39) L3MBTL1L3MBTL3KMT2AMEN1HDAC1
SCHEMBL2861902 0.76 PER2 (0.40) L3MBTL1L3MBTL3KMT2AMEN1HDAC1
SCHEMBL2855569 0.75 L3MBTL1 (0.39) L3MBTL1L3MBTL3KMT2AMEN1HDAC1
SCHEMBL20267398 0.73 KMT2A (0.64) KMT2AMEN1GAACASP3SENP7
SCHEMBL11476095 0.72 KMT2A (0.67) KMT2AMEN1GAACASP3SENP7
SCHEMBL11236018 0.69 KMT2A (0.50) KMT2AMEN1CASP3SENP7NPC1
SCHEMBL14775292 0.69 KMT2A (0.46) L3MBTL1L3MBTL3KMT2AMEN1KDM4E
SCHEMBL29989872 0.68 KMT2A (0.41) L3MBTL1L3MBTL3KMT2AMEN1KDM4E
SCHEMBL5982426 0.67 ADORA2A (0.36) GAA
SCHEMBL20267432 0.67 KMT2A (0.68) KMT2AMEN1KDM4EGAACASP3

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-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed