SCHEMBL5074005

SCHEMBL5074005

[CH2]C(C[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)CCCCC)c1)C(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.46
APP P05067 3/20 0.46
MME P08473 1/20 0.44
MMEL1 Q495T6 1/20 0.44
BACE2 Q9Y5Z0 2/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
CTRB1 P17538 1/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL5071381 0.94 BACE1 (0.50) BACE1APPMMEMMEL1BACE2
SCHEMBL5073999 0.92 BACE1 (0.53) BACE1APPMMEMMEL1BACE2
SCHEMBL5069593 0.88 BACE1 (0.59) BACE1APPMMEMMEL1BACE2
SCHEMBL5069588 0.88 BACE1 (0.59) BACE1APPMMEMMEL1BACE2
SCHEMBL5073002 0.83 BACE1 (0.58) BACE1APPMMEMMEL1BACE2
SCHEMBL5074002 0.81 BACE1 (0.46) BACE1APPBACE2LMNAMEN1
SCHEMBL5141442 0.81 BACE1 (0.56) BACE1APPBACE2
SCHEMBL3434792 0.80 BACE1 (0.49) BACE1APPMMEBACE2LMNA
SCHEMBL5070568 0.79 BACE1 (0.52) BACE1APPBACE2
SCHEMBL5071430 0.76 BACE1 (0.49) BACE1APPMMEMMEL1BACE2

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-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed