SCHEMBL13268484

SCHEMBL13268484

CC[C@@]1(c2cc(C(N)=O)ccc2F)CCN=C(N)O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.34
KDM1A O60341 1/20 0.33
OPRM1 P35372 5/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
PDE4B Q07343 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
OPRL1 P41146 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL13268463 0.82 BACE1 (0.40) BACE1KDM1AOPRM1OPRD1OPRK1
SCHEMBL1978685 0.79 BACE2 (0.44) BACE1BACE2
SCHEMBL1979164 0.75 BACE1 (0.59) BACE1BACE2
SCHEMBL1978595 0.75 BACE1 (0.60) BACE1BACE2
SCHEMBL10316565 0.75 BACE1 (0.37) BACE1KDM1AOPRM1OPRD1OPRK1
SCHEMBL1978958 0.74 BACE1 (0.48) BACE1BACE2
SCHEMBL1978950 0.74 BACE1 (0.61) BACE1BACE2
SCHEMBL1978632 0.74 BACE1 (0.53) BACE1BACE2
SCHEMBL1980140 0.73 BACE1 (0.61) BACE1BACE2
SCHEMBL1979859 0.73 BACE1 (0.61) 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-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP claimed
EP-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed