SCHEMBL13440464

SCHEMBL13440464

CN1C(=N)N[C@](CC2CCCCC2)(CC2CCCNC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.49
CTSD P07339 1/20 0.35
APP P05067 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL7535440 0.91 BACE1 (0.56) BACE1CTSD
SCHEMBL12593483 0.83 BACE1 (0.39) BACE1CTSDAPPBACE2
SCHEMBL8290077 0.82 BACE1 (0.36) BACE1CTSD
SCHEMBL7514063 0.82 BACE1 (0.38) BACE1CTSDAPPBACE2
SCHEMBL12593424 0.82 BACE1 (0.38) BACE1CTSDAPPBACE2
SCHEMBL7520191 0.82 BACE1 (0.40) BACE1CTSDAPPBACE2
SCHEMBL7513893 0.82 BACE1 (0.38) BACE1CTSDAPPBACE2
SCHEMBL17568813 0.82 BACE1 (0.38) BACE1CTSDAPPBACE2
SCHEMBL17551649 0.82 BACE1 (0.36) BACE1CTSD
SCHEMBL7532919 0.81 BACE1 (0.36) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed