SCHEMBL2780407

SCHEMBL2780407

[NH]NC(=O)CC=CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL9109458 0.81 GPR52 (0.54) GPR52
SCHEMBL9109464 0.81 GPR52 (0.54) GPR52
SCHEMBL6971097 0.80 GPR52 (0.58) GPR52HDAC2HDAC8HDAC6
SCHEMBL6971091 0.79 GPR52 (0.56) GPR52
SCHEMBL9109471 0.77 GPR52 (0.54) GPR52HDAC2HDAC8HDAC6
SCHEMBL7762166 0.75 GPR52 (0.57) GPR52
SCHEMBL9715286 0.75 GPR52 (0.57) GPR52
SCHEMBL7762164 0.75 GPR52 (0.57) GPR52
SCHEMBL7085533 0.74 MAOB (0.67) HDAC2HDAC8HDAC6
SCHEMBL6758436 0.73 KEAP1 (0.63) GPR52HDAC2HDAC8HDAC6

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-2167458-A1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX Intrexon Corporation (US) 2010-03-31 EP disclosed
WO-2008153801-A1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORPORATION (US) 2008-12-18 WO disclosed