SCHEMBL5226954

SCHEMBL5226954

COc1ccccc1CCNC[C@@H](O)[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
BCHE P06276 6/20 0.46
BACE1 P56817 1/20 0.46
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MPO P05164 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5226961 1.00 OPRM1 (0.47) OPRM1OPRD1OPRK1BCHEBACE1
SCHEMBL5223861 0.92 CTSG (0.48) OPRM1OPRD1OPRK1BCHEBACE1
SCHEMBL5223850 0.92 CTSG (0.48) OPRM1OPRD1OPRK1BCHEBACE1
SCHEMBL5223889 0.87 ALDH1A1 (0.38) OPRM1OPRD1OPRK1BCHEBACE1
SCHEMBL5223892 0.87 ALDH1A1 (0.38) OPRM1OPRD1OPRK1BCHEBACE1
SCHEMBL5219646 0.86 ADRB3 (0.43) OPRM1OPRD1OPRK1BCHEBACE1
SCHEMBL5219638 0.86 ADRB3 (0.43) OPRM1OPRD1OPRK1BCHEBACE1
SCHEMBL5221710 0.85 GAA (0.54) ADRB2ADRB3KMT2AMEN1TAAR1
SCHEMBL5221702 0.85 GAA (0.54) ADRB2ADRB3KMT2AMEN1TAAR1
SCHEMBL5224863 0.84 KDM4E (0.43) OPRM1OPRD1OPRK1BCHEBACE1

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