SCHEMBL4694651

SCHEMBL4694651

CCCC(CCC)NC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.58
BCHE P06276 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
F2 P00734 2/20 0.44
LAP3 P28838 3/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL4039327 0.96 CSNK1E (0.57) CSNK1EBCHESIGMAR1MEN1KMT2A
SCHEMBL11590730 0.82 CSNK1E (0.76) CSNK1ESIGMAR1LAP3ANPEPRNPEP
SCHEMBL3352849 0.82 CSNK1E (0.47) CSNK1EBCHEMEN1KMT2AF2
SCHEMBL5382881 0.81 CSNK1E (0.53) CSNK1EBCHESIGMAR1F2LAP3
SCHEMBL5431496 0.81 CSNK1E (0.47) CSNK1EBCHESIGMAR1F2
SCHEMBL5426362 0.81 CSNK1E (0.47) CSNK1EBCHESIGMAR1F2
SCHEMBL5222215 0.81 CSNK1E (0.52) CSNK1EBCHESIGMAR1F2LAP3
SCHEMBL4689540 0.81 CSNK1E (0.52) CSNK1EBCHESIGMAR1F2LAP3
SCHEMBL4693550 0.81 CSNK1E (0.52) CSNK1EBCHESIGMAR1F2LAP3
Hydrochloric Acid SCHEMBL5224300 0.80 CSNK1E (0.51) CSNK1EBCHESIGMAR1F2LAP3

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