SCHEMBL4661375

SCHEMBL4661375

CCN1CCC(=O)CC1.CN1CCCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
BRD2 P25440 1/20 0.55
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 2/20 0.41
ACHE P22303 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
IDE P14735 1/20 0.33
RAB9A P51151 1/20 0.33
PIK3CD O00329 1/20 0.33
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 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
SCHEMBL124152 0.80
SCHEMBL120927 0.80
Hydrochloric Acid SCHEMBL29044202 0.79 BRD4 (0.61) BRD4BRD2KMT2AACHEKDM4E
SCHEMBL20393643 0.79 BRD4 (0.48) BRD4BRD2KMT2ACYP2D6POLB
Methylpyrrolidone SCHEMBL6635657 0.78 BRD4 (0.81) BRD4BRD2KMT2AACHEMEN1
SCHEMBL6885804 0.78 BRD4 (0.80) BRD4BRD2KMT2AACHEMEN1
Hydrochloric Acid SCHEMBL2171665 0.78 LMNA (0.40) KMT2ACYP2D6HRH3POLBKDM4E
SCHEMBL6886758 0.78 BRD4 (0.80) BRD4BRD2KMT2AACHEMEN1
SCHEMBL54926 0.78
Iodide SCHEMBL8818510 0.78 CYP2D6 (0.39) KMT2ACYP2D6HRH3POLBKDM4E

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-2007343-A1 BLEACHING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2008-12-31 EP disclosed
WO-2007118618-A1 BLEACHING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed