SCHEMBL16223142

SCHEMBL16223142

NC1=NC2(CO1)c1cccnc1Oc1ccc(-c3cccnc3F)c(F)c12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.54
KCNH2 Q12809 4/20 0.54
CTSD P07339 5/20 0.51
BACE2 Q9Y5Z0 2/20 0.49

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
SCHEMBL2517640 0.85 BACE1 (0.48) BACE1KCNH2CTSDBACE2
SCHEMBL3280697 0.82 BACE1 (0.53) BACE1KCNH2CTSD
SCHEMBL15510563 0.82 BACE1 (0.77) BACE1KCNH2CTSD
SCHEMBL3273353 0.82 BACE1 (0.77) BACE1KCNH2CTSD
SCHEMBL2370976 0.81 BACE1 (0.58) BACE1KCNH2CTSD
SCHEMBL3280692 0.78 BACE1 (0.58) BACE1KCNH2CTSD
SCHEMBL2371763 0.75 BACE1 (0.71) BACE1KCNH2CTSD
SCHEMBL2384399 0.75 BACE1 (0.72) BACE1KCNH2CTSD
SCHEMBL15510045 0.74 BACE1 (0.72) BACE1KCNH2CTSDBACE2
SCHEMBL2525044 0.73 BACE1 (0.58) 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