SCHEMBL15722211

SCHEMBL15722211

CC[C@]1(c2cc(NC(=O)c3nn(C)cc3Cl)ccc2C)N=C(N)COCC1(F)F

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.55
BACE2 Q9Y5Z0 5/20 0.55

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
SCHEMBL2595551 0.92 BACE1 (0.64) BACE1BACE2
SCHEMBL2595553 0.92 BACE1 (0.64) BACE1BACE2
SCHEMBL2594301 0.83 BACE1 (0.60) BACE1BACE2
SCHEMBL2594299 0.83 BACE1 (0.60) BACE1BACE2
SCHEMBL2594445 0.83 BACE1 (0.73) BACE1BACE2
SCHEMBL2594449 0.83 BACE1 (0.73) BACE1BACE2
SCHEMBL2594200 0.81 BACE1 (0.79) BACE1BACE2
SCHEMBL2594197 0.81 BACE1 (0.79) BACE1BACE2
Formic Acid SCHEMBL15467827 0.79 BACE1 (0.74) BACE1BACE2
Formic Acid SCHEMBL2592956 0.79 BACE1 (0.74) 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-2566855-B1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-21 EP disclosed