SCHEMBL165645

SCHEMBL165645

COc1cccc(CNC(c2ccccc2)[C@H](N)[C@@H](C)O)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.57
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TAAR1 Q96RJ0 2/20 0.49
BCHE P06276 1/20 0.47

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
SCHEMBL4692485 1.00 CASR (0.57) CASRMEN1KMT2ATAAR1BCHE
SCHEMBL6894740 0.87 TAAR1 (0.46) CASRMEN1KMT2ATAAR1
SCHEMBL165514 0.86 MEN1 (0.47) CASRMEN1KMT2A
SCHEMBL6886251 0.86 TDP1 (0.52) CASRMEN1KMT2A
SCHEMBL6895745 0.84 LMNA (0.47) CASRMEN1KMT2ABCHE
SCHEMBL6892337 0.82 LMNA (0.52) MEN1KMT2A
Hydrochloric Acid SCHEMBL7112448 0.81 MEN1 (0.43) CASRMEN1KMT2A
SCHEMBL4307949 0.81 KMT2A (0.40) CASRMEN1KMT2A
SCHEMBL3645149 0.81 BCHE (0.52) CASRMEN1KMT2ABCHE
SCHEMBL5270682 0.80 MEN1 (0.75) CASRMEN1KMT2ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
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
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed