SCHEMBL5224655

SCHEMBL5224655

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
NAAA Q02083 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
BCHE P06276 2/20 0.38
HPGD P15428 1/20 0.38
MMP1 P03956 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MMP2 P08253 7/20 0.38
MMP3 P08254 2/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5224641 1.00 CSNK1E (0.41) CSNK1ENAAASIGMAR1BCHEHPGD
SCHEMBL5223922 0.99 SIGMAR1 (0.41) CSNK1ENAAASIGMAR1BCHEHPGD
SCHEMBL5223916 0.99 SIGMAR1 (0.41) CSNK1ENAAASIGMAR1BCHEHPGD
SCHEMBL5220920 0.95 REN (0.40) CSNK1EBCHEOPRM1OPRD1OPRK1
SCHEMBL5220912 0.95 REN (0.40) CSNK1EBCHEOPRM1OPRD1OPRK1
SCHEMBL5219638 0.86 ADRB3 (0.43) BCHEOPRM1OPRD1OPRK1BACE1
SCHEMBL5219646 0.86 ADRB3 (0.43) BCHEOPRM1OPRD1OPRK1BACE1
SCHEMBL4516309 0.86 REN (0.51) MEN1KMT2A
SCHEMBL4516305 0.86 REN (0.51) MEN1KMT2A
SCHEMBL5216472 0.86 BACE1 (0.43) CSNK1EHPGDMMP1OPRM1OPRD1

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