SCHEMBL15224965

SCHEMBL15224965

C[C@H]1OC[C@]2(c3cc(N)ccc3F)N=C(NC(=O)O)O[C@H](C(F)(F)F)[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.41
BACE2 Q9Y5Z0 12/20 0.41
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6917983 0.89 BACE1 (0.38) BACE1BACE2KCNH2
SCHEMBL6916532 0.89 BACE1 (0.38) BACE1BACE2KCNH2
SCHEMBL15338540 0.89 BACE1 (0.38) BACE1BACE2KCNH2
SCHEMBL15224832 0.81 BACE1 (0.55) BACE1BACE2
SCHEMBL16887902 0.81 BACE1 (0.36) BACE1BACE2
SCHEMBL6918197 0.79 BACE1 (0.45) BACE1BACE2
SCHEMBL15225384 0.79 BACE1 (0.45) BACE1BACE2
SCHEMBL6917936 0.79 BACE1 (0.45) BACE1BACE2
SCHEMBL11902356 0.77 BACE1 (0.42) BACE1BACE2
SCHEMBL8514726 0.76 BACE1 (0.33) BACE1BACE2

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-2653473-A1 Fused Aminodihydro-Oxazine Derivatives Eisai R&D Management Co., Ltd. (JP) 2013-10-23 EP disclosed
EP-2456774-B1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed