SCHEMBL4694284

SCHEMBL4694284

CC(C)=CCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
EPHX1 P07099 1/20 0.44
F2 P00734 2/20 0.43
MMP2 P08253 3/20 0.41
SLC15A1 P46059 1/20 0.41
BCHE P06276 2/20 0.41
ANPEP P15144 2/20 0.40
LAP3 P28838 3/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL7300383 0.83 CSNK1E (0.54) CSNK1EEPHX1F2MMP2SLC15A1
SCHEMBL4692519 0.82 CSNK1E (0.46) CSNK1EEPHX1F2MMP2SLC15A1
Hydrochloric Acid SCHEMBL7310009 0.81 CSNK1E (0.53) CSNK1EEPHX1F2MMP2SLC15A1
SCHEMBL3355611 0.80 CSNK1E (0.56) CSNK1EEPHX1F2MMP2SLC15A1
SCHEMBL3351744 0.79 CSNK1E (0.52) CSNK1EEPHX1F2MMP2SLC15A1
SCHEMBL1286638 0.79 CSNK1E (0.51) CSNK1EEPHX1F2BCHEANPEP
Hydrochloric Acid SCHEMBL5218959 0.79 CSNK1E (0.55) CSNK1EEPHX1F2MMP2SLC15A1
SCHEMBL6895260 0.79 CSNK1E (0.51) CSNK1EEPHX1F2MMP2BCHE
SCHEMBL1286637 0.79 CSNK1E (0.51) CSNK1EEPHX1F2BCHEANPEP
SCHEMBL3358249 0.79 CSNK1E (0.51) CSNK1EEPHX1F2MMP2BCHE

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