SCHEMBL9936383

SCHEMBL9936383

CCC(=O)NC1CCCN1NC(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
EPHX2 P34913 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 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
SCHEMBL17812990 0.76 DPP4 (0.32) EPHX2SMN1; SMN2MEN1POLBMAPT
SCHEMBL6355919 0.73 CA1 (0.38) EPHX2KDM4E
SCHEMBL3798847 0.71 EPHX2 (0.36) L3MBTL1EPHX2MTNR1AMTNR1BGAA
SCHEMBL2725761 0.71 CYP3A4 (0.31) KDM4E
SCHEMBL8579047 0.70 GAA (0.42) L3MBTL1EPHX2MTNR1AMTNR1BGAA
Ammonia Solution, Strong SCHEMBL29031251 0.69 CYP3A4 (0.31) KDM4E
Ammonia Solution, Strong SCHEMBL29186497 0.69 CYP3A4 (0.31) KDM4E
SCHEMBL4687146 0.69 L3MBTL1 (0.35) L3MBTL1EPHX2KDM4EGAA
SCHEMBL27420857 0.68 EPHX2 (0.34) L3MBTL1EPHX2GAA
SCHEMBL12719746 0.66 SIGMAR1 (0.48) L3MBTL1EPHX2KDM4EGAASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651516-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'Oréal (FR) 2013-10-23 EP claimed
EP-2651386-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'Oréal (FR) 2013-10-23 EP claimed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
WO-2013004786-A2 DYE COMPOSITION USING A LONG-CHAIN ETHER OF AN ALKOXYLATED FATTY ALCOHOL AND A PYRAZOLONE OXIDATION BASE, PROCESSES AND DEVICES USING THE SAME L'OREAL (FR) 2013-01-10 WO disclosed