SCHEMBL5507934

SCHEMBL5507934

N#CC(C#N)=CN(CCCN1CCOCC1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH3 Q9Y5N1 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CTSK P43235 1/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
EPHX1 P07099 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL5506790 0.92 L3MBTL3 (0.36) L3MBTL3HRH3CYP3A4CYP2C9L3MBTL1
SCHEMBL13788009 0.73 ALDH1A1 (0.38) L3MBTL3ALDH1A1KDM4EHRH3CYP3A4
SCHEMBL4388125 0.68 GAA (0.45) L3MBTL3ALDH1A1KDM4EL3MBTL1EPHX1
SCHEMBL4383438 0.65 HRH3 (0.35) L3MBTL3ALDH1A1HRH3CYP3A4CYP2C9
SCHEMBL4383440 0.64 L3MBTL3 (0.44) L3MBTL3ALDH1A1KDM4EHRH3CYP3A4
SCHEMBL4391427 0.64 L3MBTL3 (0.37) L3MBTL3HRH3CYP3A4CYP2C9L3MBTL1
SCHEMBL4391600 0.64 L3MBTL3 (0.37) L3MBTL3HRH3CYP3A4CYP2C9L3MBTL1
SCHEMBL4385702 0.62 L3MBTL3 (0.36) L3MBTL3HRH3CYP3A4CYP2C9L3MBTL1
SCHEMBL3774303 0.61 ALDH1A1 (0.76) L3MBTL3ALDH1A1KDM4EHRH3L3MBTL1
SCHEMBL5502785 0.61 HRH3 (0.38) HRH3

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-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed