SCHEMBL14877693

SCHEMBL14877693

COC(C)(C)COc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3F)ccc1O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
KCNH2 Q12809 5/20 1.00
BACE2 Q9Y5Z0 3/20 0.70
CTSD P07339 2/20 0.68

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
SCHEMBL15509868 1.00 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL1995153 1.00 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL15509665 0.93 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL15509454 0.93 BACE1 (0.91) BACE1KCNH2BACE2CTSD
SCHEMBL15509957 0.93 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL15509778 0.87 BACE1 (0.88) BACE1KCNH2BACE2CTSD
SCHEMBL15510055 0.87 BACE1 (0.88) BACE1KCNH2BACE2CTSD
SCHEMBL15510421 0.86 BACE1 (0.76) BACE1KCNH2BACE2CTSD
SCHEMBL15509618 0.86 BACE1 (0.76) BACE1KCNH2BACE2CTSD
SCHEMBL2521165 0.85 BACE1 (0.85) BACE1KCNH2BACE2CTSD

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-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed