SCHEMBL20628958

SCHEMBL20628958

C[C@H]1CC[C@@](C)(c2cc(NC(=O)c3ccn(C(F)F)n3)ccc2F)N=C1N

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.69
BACE2 Q9Y5Z0 7/20 0.67

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
SCHEMBL20628560 0.82 BACE1 (0.63) BACE1BACE2
SCHEMBL20628930 0.82 BACE1 (0.72) BACE1BACE2
SCHEMBL18493375 0.81 BACE1 (0.72) BACE1BACE2
SCHEMBL20628895 0.81 BACE1 (0.75) BACE1BACE2
SCHEMBL20628563 0.81 BACE1 (0.66) BACE1BACE2
SCHEMBL1173552 0.80 BACE1 (0.68) BACE1BACE2
SCHEMBL20628779 0.79 BACE1 (0.70) BACE1BACE2
SCHEMBL20628784 0.79 BACE1 (0.61) BACE1BACE2
SCHEMBL20628777 0.78 BACE1 (0.74) BACE1BACE2
SCHEMBL20628730 0.78 BACE1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218362-B1 2-AMINO-3,5-DIFLUORO-3,6-DIMETHYL-6-PHENYL-3,4,5,6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS FOR TREATING ALZHEIMER'S DISEASE H LUNDBECK AS (DK) 2019-01-09 EP disclosed