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SCHEMBL2013993

SCHEMBL2013993

CC(C)(F)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 1.00
▸ KCNH2 Q12809 11/20 1.00
▸ CTSD P07339 5/20 0.86
▸ CTSE P14091 1/20 0.86
▸ BACE2 Q9Y5Z0 1/20 0.86

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
SCHEMBL2011815 1.00 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509825 0.93 BACE1 (0.88) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2014273 0.93 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2012951 0.93 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2012954 0.93 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL3274405 0.93 BACE1 (0.86) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL3280243 0.91 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509526 0.90 BACE1 (0.87) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2018359 0.90 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1993523 0.90 BACE1 (0.81) BACE1KCNH2CTSDCTSEBACE2

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
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 — — EP disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 — — WO disclosed