SCHEMBL4688911

SCHEMBL4688911

C#CC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
CSNK1E P49674 1/20 0.39
EPHX1 P07099 1/20 0.36
MMP2 P08253 3/20 0.35
SLC15A1 P46059 1/20 0.35
BCHE P06276 2/20 0.34
ANPEP P15144 3/20 0.34
LAP3 P28838 4/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33

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
SCHEMBL4688315 0.81 CSNK1E (0.45) F2CSNK1EEPHX1MMP2SLC15A1
Hydrochloric Acid SCHEMBL5220986 0.80 CSNK1E (0.44) F2CSNK1EEPHX1MMP2SLC15A1
SCHEMBL5387047 0.79 CSNK1E (0.46) F2CSNK1EEPHX1MMP2SLC15A1
SCHEMBL4693565 0.79 CSNK1E (0.46) F2CSNK1EEPHX1MMP2SLC15A1
Hydrochloric Acid SCHEMBL5222515 0.78 CSNK1E (0.45) F2CSNK1EEPHX1MMP2SLC15A1
Hydrochloric Acid SCHEMBL5226024 0.78 CSNK1E (0.45) F2CSNK1EEPHX1MMP2SLC15A1
SCHEMBL4688261 0.77 CSNK1E (0.50) F2CSNK1EEPHX1MMP2SLC15A1
SCHEMBL4689806 0.76 CSNK1E (0.48) F2CSNK1EEPHX1MMP2SLC15A1
Hydrochloric Acid SCHEMBL5219524 0.76 CSNK1E (0.49) F2CSNK1EEPHX1MMP2SLC15A1
SCHEMBL5390344 0.75 CSNK1E (0.51) F2CSNK1EEPHX1MMP2SLC15A1

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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed