SCHEMBL4693589

SCHEMBL4693589

C=CCCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
CSNK1E P49674 1/20 0.43
F2 P00734 2/20 0.43
SLC15A1 P46059 1/20 0.41
EPHX1 P07099 1/20 0.41
LAP3 P28838 3/20 0.39
ANPEP P15144 2/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
MMP2 P08253 1/20 0.38
ERAP2 Q6P179 1/20 0.38

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
SCHEMBL4692519 0.85 CSNK1E (0.46) BCHECSNK1EF2SLC15A1EPHX1
SCHEMBL14627960 0.83 CSNK1E (0.53) BCHECSNK1EF2SLC15A1EPHX1
SCHEMBL7300383 0.83 CSNK1E (0.54) BCHECSNK1EF2SLC15A1EPHX1
SCHEMBL496056 0.82 ANPEP (0.55) BCHECSNK1EF2EPHX1LAP3
SCHEMBL9317545 0.82 BCHE (0.39) BCHEEPHX1
SCHEMBL3347864 0.82 ANPEP (0.55) BCHECSNK1EF2EPHX1LAP3
SCHEMBL4044665 0.82 ANPEP (0.55) BCHECSNK1EF2EPHX1LAP3
SCHEMBL4696783 0.82 ANPEP (0.55) BCHECSNK1EF2EPHX1LAP3
Hydrochloric Acid SCHEMBL7310009 0.81 CSNK1E (0.53) BCHECSNK1EF2SLC15A1EPHX1
SCHEMBL4688790 0.81 CSNK1E (0.47) BCHECSNK1EF2SLC15A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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