SCHEMBL8029131

SCHEMBL8029131

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc(NC(=O)c4ccc(C#N)cn4)ccc3F)CCCCC2CS1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
BACE2 Q9Y5Z0 5/20 0.56

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
SCHEMBL2620123 1.00 BACE1 (0.56) BACE1BACE2
SCHEMBL15171569 0.91 BACE1 (0.57) BACE1BACE2
SCHEMBL2631697 0.91 BACE1 (0.60) BACE1BACE2
SCHEMBL15171531 0.91 BACE1 (0.60) BACE1BACE2
SCHEMBL2620094 0.91 BACE1 (0.60) BACE1BACE2
SCHEMBL2929369 0.89 BACE1 (0.61) BACE1BACE2
SCHEMBL2929367 0.89 BACE1 (0.61) BACE1BACE2
SCHEMBL12558106 0.89 BACE1 (0.58) BACE1BACE2
SCHEMBL16433349 0.89 BACE1 (0.63) BACE1BACE2
SCHEMBL2632349 0.89 BACE1 (0.63) 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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed