SCHEMBL2371539

SCHEMBL2371539

CC1(C#Cc2ccc3c(c2)C2(CSC(NC(=O)O)=N2)c2cc(Br)cnc2O3)COC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.43
CTSD P07339 4/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
RIPK1 Q13546 1/20 0.31
KCNH2 Q12809 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
SCHEMBL2522218 0.91 BACE1 (0.39) BACE1CTSDBACE2KCNH2
SCHEMBL2522217 0.91 BACE1 (0.39) BACE1CTSDBACE2KCNH2
SCHEMBL2371089 0.88 BACE1 (0.47) BACE1CTSDBACE2KCNH2
SCHEMBL2371507 0.82 BACE1 (0.42) BACE1CTSD
SCHEMBL2519147 0.81 BACE1 (0.43) BACE1CTSDBACE2KCNH2
SCHEMBL2519146 0.81 BACE1 (0.43) BACE1CTSDBACE2KCNH2
SCHEMBL2370597 0.74 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2370592 0.74 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2371423 0.74 BACE1 (0.63) BACE1CTSDBACE2KCNH2
SCHEMBL2371426 0.74 BACE1 (0.63) BACE1CTSDBACE2KCNH2

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-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed