SCHEMBL16223138

SCHEMBL16223138

NC1=N[C@@]2(CS1)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(OC[C@@H]3CC3(F)F)cc12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.57
KCNH2 Q12809 2/20 0.51
CTSD P07339 1/20 0.47

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
SCHEMBL2382064 0.85 BACE1 (0.77) BACE1KCNH2CTSD
SCHEMBL2525084 0.85 BACE1 (0.77) BACE1KCNH2CTSD
SCHEMBL2372051 0.85 BACE1 (0.70) BACE1KCNH2CTSD
SCHEMBL2372044 0.85 BACE1 (0.70) BACE1KCNH2CTSD
SCHEMBL2522932 0.83 BACE1 (0.61) BACE1KCNH2
SCHEMBL2371491 0.83 BACE1 (0.59) BACE1KCNH2
SCHEMBL2382000 0.83 BACE1 (0.61) BACE1KCNH2
SCHEMBL2371496 0.83 BACE1 (0.59) BACE1KCNH2
SCHEMBL2522951 0.81 BACE1 (0.56) BACE1KCNH2CTSD
SCHEMBL2521397 0.80 BACE1 (0.59) BACE1KCNH2CTSD

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
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed