SCHEMBL4689948

SCHEMBL4689948

N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.47
CSNK1E P49674 1/20 0.44
EPHX1 P07099 1/20 0.42
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
GRIN2B Q13224 1/20 0.40
MMP2 P08253 2/20 0.39
SLC15A1 P46059 1/20 0.39
ANPEP P15144 4/20 0.39
ERAP2 Q6P179 2/20 0.39
BCHE P06276 1/20 0.38
BACE1 P56817 1/20 0.38
LAP3 P28838 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37

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
SCHEMBL4047960 0.88 GRIN2B (0.48) F2CSNK1EEPHX1GRIN2BANPEP
SCHEMBL14253003 0.88 GRIN2B (0.48) F2CSNK1EEPHX1GRIN2BANPEP
SCHEMBL5805296 0.88 GRIN2B (0.48) F2CSNK1EEPHX1GRIN2BANPEP
Hydrochloric Acid SCHEMBL6111346 0.87 GRIN2B (0.47) F2CSNK1EEPHX1GRIN2BANPEP
SCHEMBL4692517 0.85 ANPEP (0.49) F2CSNK1EEPHX1GRIN2BANPEP
SCHEMBL5930121 0.85 ANPEP (0.52) F2CSNK1EEPHX1GRIN2BANPEP
Hydrochloric Acid SCHEMBL5216767 0.84 ANPEP (0.48) F2CSNK1EEPHX1GRIN2BANPEP
SCHEMBL4693744 0.84 ANPEP (0.54) F2CSNK1EGRIN2BANPEPERAP2
SCHEMBL4695118 0.84 ANPEP (0.54) F2CSNK1EGRIN2BANPEPERAP2
SCHEMBL5720870 0.84 ANPEP (0.54) F2CSNK1EGRIN2BANPEPERAP2

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