SCHEMBL168266

SCHEMBL168266

COc1cccc(CNCC(O)CCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.62
BCHE P06276 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRM2 P08172 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSD P07339 1/20 0.49
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
ADRB3 P13945 1/20 0.48

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
SCHEMBL5392678 0.84 CETP (0.50) DNM1BCHECTSD
SCHEMBL7288681 0.83 DNM1 (0.58) DNM1BCHEMEN1KMT2ACHRM2
SCHEMBL2924382 0.82 DNM1 (0.62) DNM1BCHEMEN1KMT2ACHRM2
SCHEMBL7288676 0.82 DNM1 (0.57) DNM1BCHEL3MBTL1MEN1KMT2A
SCHEMBL6694692 0.81 DNM1 (0.54) DNM1BCHEMEN1KMT2AALDH1A1
SCHEMBL5219603 0.81 DNM1 (0.54) DNM1BCHEMEN1KMT2AALDH1A1
SCHEMBL21740355 0.81 DNM1 (0.61) DNM1BCHEMEN1KMT2ACHRM2
SCHEMBL27614960 0.80 DNM1 (0.60) DNM1BCHEMEN1KMT2ACHRM2
SCHEMBL27646012 0.79 DNM1 (0.58) DNM1BCHEMEN1KMT2ACHRM2
SCHEMBL8880839 0.78 KDM4E (0.77) BCHEMEN1KMT2ACHRM2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed