SCHEMBL8021134

SCHEMBL8021134

NC1=N[C@@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)CCOC(CF)[C@H]2CS1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.72
BACE2 Q9Y5Z0 8/20 0.63

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
SCHEMBL2620228 1.00 BACE1 (0.72) BACE1BACE2
SCHEMBL3773810 1.00 BACE1 (0.72) BACE1BACE2
SCHEMBL2107023 0.93 BACE1 (0.81) BACE1BACE2
SCHEMBL2932364 0.90 BACE1 (0.88) BACE1BACE2
SCHEMBL2620238 0.90 BACE1 (0.88) BACE1BACE2
SCHEMBL3772913 0.89 BACE1 (0.58) BACE1BACE2
SCHEMBL8030450 0.89 BACE1 (0.58) BACE1BACE2
SCHEMBL2620227 0.89 BACE1 (0.58) BACE1BACE2
SCHEMBL2926807 0.88 BACE1 (0.64) BACE1BACE2
SCHEMBL2620230 0.88 BACE1 (0.64) 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