SCHEMBL5223191

SCHEMBL5223191

CCn1cc(CNC[C@@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
BACE1 P56817 9/20 0.45
CTSD P07339 3/20 0.45
BACE2 Q9Y5Z0 3/20 0.45
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.39
BCHE P06276 3/20 0.38
OPRM1 P35372 1/20 0.38
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A11 P48066 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5223199 1.00 LMNA (0.46) LMNABACE1CTSDBACE2MAPT
SCHEMBL5222219 0.88 OPRM1 (0.47) BACE1CTSDBACE2BCHEOPRM1
SCHEMBL5222213 0.88 OPRM1 (0.47) BACE1CTSDBACE2BCHEOPRM1
SCHEMBL175480 0.78 LMNA (0.48) LMNABACE1CTSDBACE2MAPT
SCHEMBL717681 0.77 ATM (0.53) BACE1CTSDBACE2BCHEATM
SCHEMBL717679 0.77 ATM (0.53) BACE1CTSDBACE2BCHEATM
Hydrochloric Acid SCHEMBL5219543 0.77 LMNA (0.47) LMNABACE1CTSDBACE2MAPT
SCHEMBL609656 0.77 ANPEP (0.42) BACE1MAPTBCHEOPRM1KMT2A
SCHEMBL609658 0.77 ANPEP (0.42) BACE1MAPTBCHEOPRM1KMT2A
SCHEMBL5220912 0.76 REN (0.40) BACE1CTSDBCHEOPRM1KDM4E

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed