SCHEMBL1933736

SCHEMBL1933736

COC[C@H]1C[C@H]2C(C(C)(C)C)(C(C)(C)C)SC(N(C(=O)O)C(=O)O)=N[C@@]2(c2cc(-c3cccnc3F)ccc2F)CO1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.41
BACE2 Q9Y5Z0 9/20 0.41
CTSD P07339 3/20 0.36
KCNH2 Q12809 2/20 0.35
CTSB P07858 2/20 0.34

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
SCHEMBL1934139 0.90 BACE1 (0.38) BACE1BACE2
SCHEMBL1934848 0.85 BACE1 (0.50) BACE1BACE2
SCHEMBL3300948 0.85 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL1934147 0.81 BACE1 (0.36) BACE1BACE2
SCHEMBL1933735 0.79 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL13391488 0.79 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL7914943 0.79 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL1934572 0.75 BACE1 (0.46) BACE1BACE2
SCHEMBL9888436 0.74 BACE1 (0.51) BACE1BACE2
SCHEMBL7924503 0.73 BACE1 (0.69) BACE1BACE2CTSD

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-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP disclosed