SCHEMBL7051773

SCHEMBL7051773

COc1cccc(CNC[C@H](O)[CH]Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.49
DNM1 Q05193 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
CTSD P07339 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7048932 0.93 DNM1 (0.48) BACE1DNM1BACE2MEN1KMT2A
SCHEMBL7115591 0.91 DNM1 (0.48) BACE1DNM1MEN1KMT2A
SCHEMBL7048773 0.90 DNM1 (0.54) BACE1DNM1CTSDMEN1KMT2A
SCHEMBL7054663 0.88 DNM1 (0.55) BACE1DNM1CTSDMEN1KMT2A
SCHEMBL27593038 0.88 DNM1 (0.55) BACE1DNM1CTSDMEN1KMT2A
SCHEMBL7111374 0.87 HTT (0.52) BACE1DNM1CTSDMEN1KMT2A
SCHEMBL7112618 0.85 DNM1 (0.49) BACE1DNM1CTSDMEN1KMT2A
SCHEMBL7053205 0.85 DNM1 (0.49) BACE1DNM1CTSDMEN1KMT2A
SCHEMBL7055848 0.85 DNM1 (0.49) DNM1CTSDMEN1KMT2A
SCHEMBL27576822 0.85 DNM1 (0.49) BACE1DNM1CTSDMEN1KMT2A

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 3 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