SCHEMBL5224496

SCHEMBL5224496

Cc1ccc(CCNC[C@@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.42
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP8 P22894 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL5224503 1.00 ADRB3 (0.42) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5219646 0.94 ADRB3 (0.43) ADRB3NPC1RAB9AOPRM1OPRD1
SCHEMBL5219638 0.94 ADRB3 (0.43) ADRB3NPC1RAB9AOPRM1OPRD1
SCHEMBL5223472 0.90 ADRB3 (0.41) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5223464 0.90 ADRB3 (0.41) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5221702 0.89 GAA (0.54) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5221710 0.89 GAA (0.54) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5223889 0.86 ALDH1A1 (0.38) ADRB3OPRM1OPRD1OPRK1MEN1
SCHEMBL5223892 0.86 ALDH1A1 (0.38) ADRB3OPRM1OPRD1OPRK1MEN1
SCHEMBL5217761 0.85 PLAAT3 (0.43) ADRB3PLAAT3PLAAT5PLAAT2PLAAT4

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