SCHEMBL15224871

SCHEMBL15224871

N#Cc1ccc(C(=O)Nc2ccc(F)c([C@]34CO[C@H](CF)[C@H]3COC(N)=N4)c2)nc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 9/20 0.65
CYP2D6 P10635 1/20 0.62
PSEN1 P49768 1/20 0.61
PSEN2 P49810 1/20 0.61
APH1B Q8WW43 1/20 0.61
NCSTN Q92542 1/20 0.61
APH1A Q96BI3 1/20 0.61
PSENEN Q9NZ42 1/20 0.61

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
SCHEMBL6917444 1.00 BACE1 (0.67) BACE1BACE2CYP2D6PSEN1PSEN2
SCHEMBL11982768 1.00 BACE1 (0.67) BACE1BACE2CYP2D6PSEN1PSEN2
SCHEMBL11967169 1.00 BACE1 (0.67) BACE1BACE2CYP2D6PSEN1PSEN2
SCHEMBL6916607 0.90 BACE1 (0.67) BACE1BACE2
SCHEMBL6917196 0.90 BACE1 (0.67) BACE1BACE2CYP2D6
SCHEMBL11967123 0.89 BACE1 (0.65) BACE1BACE2CYP2D6
SCHEMBL6918198 0.88 BACE1 (0.64) BACE1BACE2CYP2D6
SCHEMBL11982780 0.88 BACE1 (0.79) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL11967140 0.88 BACE1 (0.79) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL2108761 0.88 BACE1 (0.76) BACE1BACE2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
EP-2653473-A1 Fused Aminodihydro-Oxazine Derivatives Eisai R&D Management Co., Ltd. (JP) 2013-10-23 EP disclosed
EP-2456774-B1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
EP-2456774-B1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed