SCHEMBL5088152

SCHEMBL5088152

CCCCCCCCCCCCCCC(=O)C(C)c1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
FAAH O00519 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
DAGLA Q9Y4D2 1/20 0.42

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
SCHEMBL7641669 0.75 ASAH1 (0.56) CES2
SCHEMBL1026829 0.73 CYP1A2 (0.56) FAAH
SCHEMBL7599990 0.71 P2RX7 (0.48) CES2
SCHEMBL2989445 0.69 CES2 (0.64) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL23950441 0.69 CES2 (0.64) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL23950236 0.69 CES2 (0.64) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL23950237 0.69 CES2 (0.64) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL21448801 0.69 CES2 (0.64) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL14477972 0.69 CES2 (0.64) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL8773299 0.69 CES2 (0.64) CES2FAAHMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440064-B1 PROCESS FOR THE PREPARATION OF (PYRIMIDIN-2-YL)METHYL KETONES LONZA AG (CH) 2008-05-07 EP claimed
EP-1440064-B1 PROCESS FOR THE PREPARATION OF (PYRIMIDIN-2-YL)METHYL KETONES LONZA AG (CH) 2008-05-07 EP disclosed
EP-1440064-A1 PROCESS FOR THE PREPARATION OF (PYRIMMIDIN-2-YL)METHYL KETONES LONZA LTD. (CH) 2004-07-28 EP disclosed
WO-2003033474-A1 PROCESS FOR THE PREPARATION OF (PYRIMMIDIN-2-YL)METHYL KETONES LONZA LTD. (CH) 2003-04-24 WO disclosed