SCHEMBL1979426

SCHEMBL1979426

C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CCN=C(N)O1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.69
BACE2 Q9Y5Z0 6/20 0.69
PSEN1 P49768 1/20 0.65
PSEN2 P49810 1/20 0.65
APH1B Q8WW43 1/20 0.65
NCSTN Q92542 1/20 0.65
APH1A Q96BI3 1/20 0.65
PSENEN Q9NZ42 1/20 0.65

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
SCHEMBL1978992 0.88 BACE1 (0.65) BACE1BACE2
SCHEMBL1977845 0.88 BACE1 (0.67) BACE1BACE2
SCHEMBL1979181 0.87 BACE1 (0.63) BACE1BACE2
SCHEMBL14165864 0.87 BACE1 (0.66) BACE1BACE2
SCHEMBL1979743 0.85 BACE1 (0.57) BACE1BACE2
SCHEMBL1979257 0.85 BACE1 (0.65) BACE1BACE2
SCHEMBL1984568 0.85 BACE1 (0.65) BACE1BACE2
SCHEMBL1978113 0.84 BACE1 (0.68) BACE1BACE2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL1979733 0.83 BACE1 (0.67) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL15145587 0.83 BACE1 (0.69) BACE1BACE2PSEN1PSEN2APH1B

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
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO claimed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed