SCHEMBL4688946

SCHEMBL4688946

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.40
BACE1 P56817 8/20 0.37
CTSD P07339 3/20 0.37
BACE2 Q9Y5Z0 3/20 0.37
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
CSNK1E P49674 1/20 0.35
SLC6A11 P48066 1/20 0.35
ANPEP P15144 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL175480 0.85 LMNA (0.48) BCHEBACE1CTSDBACE2F2
Hydrochloric Acid SCHEMBL5219543 0.84 LMNA (0.47) BCHEBACE1CTSDBACE2F2
SCHEMBL5218712 0.81 OPRM1 (0.47) BCHEBACE1CTSDBACE2F2
SCHEMBL7951036 0.77 BCHE (0.61) BCHEBACE1F2LMNACSNK1E
SCHEMBL3353939 0.77 BCHE (0.61) BCHEBACE1F2LMNACSNK1E
SCHEMBL496172 0.77 BCHE (0.61) BCHEBACE1F2LMNACSNK1E
SCHEMBL2605624 0.77 BCHE (0.61) BCHEBACE1F2LMNACSNK1E
SCHEMBL5216600 0.76 BACE1 (0.49) BCHEBACE1F2LMNACSNK1E
Hydrochloric Acid SCHEMBL497150 0.75 BCHE (0.60) BCHEBACE1F2LMNACSNK1E
Hydrochloric Acid SCHEMBL5225060 0.75 BCHE (0.60) BCHEBACE1F2LMNACSNK1E

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