SCHEMBL9947660

SCHEMBL9947660

NC1=N[C@@](c2cc(N)ccc2F)(C(F)F)CCOC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
BACE2 Q9Y5Z0 10/20 0.48

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
SCHEMBL9947575 1.00 BACE1 (0.56) BACE1BACE2
Hydrochloric Acid SCHEMBL14300773 0.99 BACE1 (0.56) BACE1BACE2
SCHEMBL8587096 0.87 BACE1 (0.65) BACE1BACE2
SCHEMBL936351 0.87 BACE1 (0.65) BACE1BACE2
SCHEMBL8513437 0.87 BACE1 (0.65) BACE1BACE2
Hydrochloric Acid SCHEMBL9947728 0.86 BACE1 (0.64) BACE1BACE2
Hydrochloric Acid SCHEMBL8516289 0.86 BACE1 (0.64) BACE1BACE2
Hydrochloric Acid SCHEMBL10006940 0.85 BACE1 (0.62) BACE1BACE2
SCHEMBL9947569 0.84 BACE1 (0.59) BACE1
SCHEMBL9947657 0.84 BACE1 (0.59) BACE1

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-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed