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SCHEMBL2108599

SCHEMBL2108599

CO[C@@H]1CC[C@]2(c3cc(N)ccc3F)N=C(N(C(=O)O)C(C)(C)C)SC[C@@H]2C1.CO[C@@H]1CC[C@]2(c3cc(N)ccc3F)N=C(N(C(=O)O)C(C)(C)C)SC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.35
▸ BACE2 Q9Y5Z0 3/20 0.35
▸ KCNH2 Q12809 3/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CTSD P07339 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
SCHEMBL2108022 1.00 BACE1 (0.35) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2108021 1.00 BACE1 (0.35) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2109255 1.00 BACE1 (0.35) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2107010 1.00 BACE1 (0.35) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2109335 0.92 BACE1 (0.35) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2107946 0.92 BACE1 (0.35) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2108699 0.92 BACE1 (0.35) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2107263 0.91 BACE1 (0.36) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2109056 0.91 BACE1 (0.36) BACE1BACE2KCNH2CYP2D6CTSD
SCHEMBL2107251 0.91 BACE1 (0.36) BACE1BACE2KCNH2CYP2D6CTSD

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
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 — — US disclosed