SCHEMBL6923711

SCHEMBL6923711

CC1(c2cccc(NC(=O)c3ccc(N)cn3)c2)COCC(N)=N1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.84
APP P05067 1/20 0.82

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
SCHEMBL1173342 0.91 BACE1 (1.00) BACE1APP
SCHEMBL362245 0.91 BACE1 (1.00) BACE1APP
SCHEMBL362909 0.91 BACE1 (1.00) BACE1APP
SCHEMBL361455 0.90 BACE1 (1.00) BACE1APP
SCHEMBL369802 0.90 BACE1 (1.00) BACE1APP
SCHEMBL370707 0.90 BACE1 (1.00) BACE1APP
SCHEMBL362660 0.90 BACE1 (1.00) BACE1APP
Hydrochloric Acid SCHEMBL361775 0.89 BACE1 (0.98) BACE1APP
SCHEMBL362891 0.89 BACE1 (0.84) BACE1APP
SCHEMBL362026 0.89 BACE1 (1.00) BACE1APP

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
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO disclosed