SCHEMBL13825477

SCHEMBL13825477

COc1ccc(C2(c3cccc(-c4cncc(F)c4)c3)CCC(N)=N2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.56
KCNH2 Q12809 4/20 0.56
BACE2 Q9Y5Z0 6/20 0.50
CTSD P07339 5/20 0.50
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.37
REN P00797 1/20 0.36

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
SCHEMBL7865201 0.85 BACE1 (0.57) BACE1KCNH2BACE2CTSD
SCHEMBL13825543 0.81 BACE1 (0.53) BACE1KCNH2BACE2CTSD
Formic Acid SCHEMBL2284406 0.81 BACE1 (0.52) BACE1KCNH2BACE2CTSD
SCHEMBL13825384 0.80 BACE1 (0.55) BACE1KCNH2BACE2CTSDREN
SCHEMBL13825355 0.80 BACE1 (0.64) BACE1KCNH2BACE2CTSD
SCHEMBL7863696 0.78 BACE1 (0.62) BACE1KCNH2BACE2CTSDCYP11B2
SCHEMBL2284409 0.76 BACE1 (0.43) BACE1KCNH2BACE2CTSDCYP11B2
SCHEMBL7872670 0.76 BACE1 (0.57) BACE1KCNH2BACE2CTSDREN
SCHEMBL12376218 0.74 BACE1 (0.71) BACE1KCNH2BACE2CTSDREN
SCHEMBL13825392 0.74 BACE1 (0.60) BACE1KCNH2BACE2CTSDREN

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
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed