SCHEMBL4693087

SCHEMBL4693087

N[C@@H](Cc1ccccc1)[C@H](O)CNCCCF

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.48
F2 P00734 2/20 0.44
MMP2 P08253 4/20 0.42
BCHE P06276 3/20 0.42
EPHX1 P07099 1/20 0.42
LAP3 P28838 3/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
SLC15A1 P46059 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
SCHEMBL4688790 0.91 CSNK1E (0.47) CSNK1EF2MMP2BCHEEPHX1
SCHEMBL14627960 0.91 CSNK1E (0.53) CSNK1EF2MMP2BCHEEPHX1
SCHEMBL5424800 0.87 CSNK1E (0.43) CSNK1EF2MMP2BCHEEPHX1
SCHEMBL6887457 0.87 SIGMAR1 (0.53) CSNK1EF2ANPEP
SCHEMBL4049171 0.87 SIGMAR1 (0.53) CSNK1EF2ANPEP
SCHEMBL3356645 0.87 SIGMAR1 (0.53) CSNK1EF2ANPEP
SCHEMBL6892570 0.85 SIGMAR1 (0.53) CSNK1E
SCHEMBL4036975 0.85 SIGMAR1 (0.53) CSNK1E
SCHEMBL3355145 0.85 CSNK1E (0.62) CSNK1EF2BCHEEPHX1LAP3
SCHEMBL3349626 0.85 CSNK1E (0.48) CSNK1EF2MMP2BCHEEPHX1

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