SCHEMBL4692426

SCHEMBL4692426

CCC#CCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
F2 P00734 2/20 0.43
ANPEP P15144 3/20 0.42
LAP3 P28838 2/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
MMP2 P08253 2/20 0.41
SLC15A1 P46059 1/20 0.41
BCHE P06276 3/20 0.41
EPHX1 P07099 1/20 0.41
TRPA1 O75762 1/20 0.41
ERAP2 Q6P179 1/20 0.40
LTA4H P09960 1/20 0.40
CTSC P53634 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
SCHEMBL4688760 0.88 CSNK1E (0.49) CSNK1EF2ANPEPLAP3RNPEP
SCHEMBL5930069 0.84 CSNK1E (0.57) CSNK1EF2ANPEPLAP3RNPEP
SCHEMBL3355611 0.83 CSNK1E (0.56) CSNK1EF2ANPEPLAP3RNPEP
SCHEMBL7300383 0.83 CSNK1E (0.54) CSNK1EF2ANPEPLAP3RNPEP
Hydrochloric Acid SCHEMBL4692753 0.82 CSNK1E (0.56) CSNK1EF2ANPEPLAP3RNPEP
SCHEMBL3469029 0.82 CSNK1E (0.49) CSNK1EF2ANPEPLAP3RNPEP
SCHEMBL3469148 0.82 CSNK1E (0.44) CSNK1EF2ANPEPLAP3RNPEP
Hydrochloric Acid SCHEMBL5218959 0.82 CSNK1E (0.55) CSNK1EF2ANPEPLAP3RNPEP
Hydrochloric Acid SCHEMBL7310009 0.81 CSNK1E (0.53) CSNK1EF2ANPEPLAP3RNPEP
SCHEMBL3355145 0.81 CSNK1E (0.62) CSNK1EF2ANPEPLAP3RNPEP

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