SCHEMBL5223889

SCHEMBL5223889

Cc1ccccc1CCNC[C@@H](O)[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BCHE P06276 3/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
BACE1 P56817 2/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRB3 P13945 4/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
LMNA P02545 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
SCHEMBL5223892 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ABCHEOPRM1
SCHEMBL5219638 0.89 ADRB3 (0.43) MEN1KMT2ABCHEOPRM1OPRD1
SCHEMBL5219646 0.89 ADRB3 (0.43) MEN1KMT2ABCHEOPRM1OPRD1
SCHEMBL5226961 0.87 OPRM1 (0.47) ALDH1A1MEN1KMT2ABCHEOPRM1
SCHEMBL5226954 0.87 OPRM1 (0.47) ALDH1A1MEN1KMT2ABCHEOPRM1
SCHEMBL5217634 0.87 SIGMAR1 (0.43) KMT2AOPRM1
SCHEMBL5217626 0.87 SIGMAR1 (0.43) KMT2AOPRM1
SCHEMBL5224496 0.86 ADRB3 (0.42) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL5224503 0.86 ADRB3 (0.42) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL5223861 0.83 CTSG (0.48) ALDH1A1MEN1KMT2ABCHEOPRM1

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