SCHEMBL8289259

SCHEMBL8289259

CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCC[C@@H](NCc3ccccc3)C2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.51
CTSD P07339 14/20 0.51
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.36
FABP6 P51161 1/20 0.35

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
SCHEMBL7538403 1.00 BACE1 (0.51) BACE1CTSDPRMT5WDR77EPHX1
SCHEMBL7534015 1.00 BACE1 (0.51) BACE1CTSDPRMT5WDR77EPHX1
SCHEMBL7533092 1.00 BACE1 (0.51) BACE1CTSDPRMT5WDR77EPHX1
SCHEMBL7538348 1.00 BACE1 (0.51) BACE1CTSDPRMT5WDR77EPHX1
SCHEMBL2967844 0.93 BACE1 (0.49) BACE1CTSDPRMT5WDR77EPHX1
SCHEMBL2962873 0.93 BACE1 (0.49) BACE1CTSDPRMT5WDR77EPHX1
SCHEMBL2962872 0.93 BACE1 (0.49) BACE1CTSDPRMT5WDR77EPHX1
SCHEMBL7538661 0.91 BACE1 (0.47) BACE1CTSDEPHX1
SCHEMBL7534011 0.91 BACE1 (0.47) BACE1CTSDEPHX1
SCHEMBL8289262 0.91 BACE1 (0.47) BACE1CTSDEPHX1

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
WO-2005058311-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2005-06-30 WO disclosed