SCHEMBL6893475

SCHEMBL6893475

COc1cccc(CNC[C@@H](O)[CH]CC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
CHRM2 P08172 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 2/20 0.49
MCHR1 Q99705 1/20 0.47
HDAC1 Q13547 2/20 0.46
CTSD P07339 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
BACE1 P56817 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7048773 0.87 DNM1 (0.54) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL7054663 0.85 DNM1 (0.55) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL27593038 0.85 DNM1 (0.55) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL7111374 0.84 HTT (0.52) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL6893347 0.82 DNM1 (0.50) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL27614960 0.82 DNM1 (0.60) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL7048367 0.82 BCHE (0.47) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL7055848 0.81 DNM1 (0.49) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL7112618 0.81 DNM1 (0.49) DNM1CHRM2MEN1KMT2ABCHE
SCHEMBL7053205 0.81 DNM1 (0.49) DNM1CHRM2MEN1KMT2ABCHE

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