SCHEMBL6845531

SCHEMBL6845531

N=C(N)OC[C@@H]1c2cc(-c3cccnc3F)ccc2Oc2nc(F)c(I)cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.33
KCNH2 Q12809 4/20 0.33
CTSD P07339 1/20 0.33
CYP11B2 P19099 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL6845485 0.79 BACE1 (0.46) BACE1CTSD
SCHEMBL2371270 0.68 CYP11B2 (0.37) BACE1KCNH2CTSDCYP11B2
SCHEMBL6845659 0.67 BACE1 (0.53) BACE1KCNH2CTSDBACE2
SCHEMBL2371594 0.62 BACE1 (0.70) BACE1KCNH2CTSD
SCHEMBL2370674 0.62 BACE1 (0.70) BACE1KCNH2CTSD
SCHEMBL6845347 0.60 BACE1 (0.57) BACE1KCNH2CTSD
SCHEMBL10285710 0.60 BACE1 (0.51) BACE1CTSD
SCHEMBL7705408 0.58 BACE1 (0.35) BACE1KCNH2CTSD
SCHEMBL5680280 0.55 EPHB4 (0.45) BACE1CTSDCYP11B2BACE2
SCHEMBL4023174 0.55 FEN1 (0.51) CYP11B2

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
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed