SCHEMBL15510294

SCHEMBL15510294

NC1=N[C@]2(CO1)c1cc(-c3ccccc3)ccc1Oc1ncccc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
CTSD P07339 5/20 0.60
KCNH2 Q12809 5/20 0.59

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
SCHEMBL3278116 1.00 BACE1 (0.64) BACE1CTSDKCNH2
SCHEMBL3273661 0.90 BACE1 (0.69) BACE1CTSDKCNH2
SCHEMBL15510386 0.90 BACE1 (0.69) BACE1CTSDKCNH2
SCHEMBL15509960 0.90 BACE1 (0.69) BACE1CTSDKCNH2
SCHEMBL15510251 0.89 BACE1 (0.67) BACE1CTSDKCNH2
SCHEMBL2525176 0.88 BACE1 (0.64) BACE1CTSDKCNH2
SCHEMBL15509580 0.87 BACE1 (0.80) BACE1CTSDKCNH2
SCHEMBL15509623 0.87 BACE1 (0.62) BACE1CTSDKCNH2
SCHEMBL15510243 0.86 BACE1 (0.68) BACE1CTSDKCNH2
SCHEMBL15510257 0.85 BACE1 (0.73) BACE1CTSDKCNH2

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-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed