SCHEMBL298706

SCHEMBL298706

C[C@@]1(c2cccc(NC(=O)N3CC=CC=C3Cl)c2)CC(=O)N(Cc2ccccc2)C(N)=N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.48
REN P00797 5/20 0.47
CTSD P07339 3/20 0.47
CTSE P14091 1/20 0.37
KCNH2 Q12809 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL297853 0.91 BACE1 (0.50) BACE1RENCTSD
SCHEMBL299275 0.86 BACE1 (0.64) BACE1CTSD
SCHEMBL297169 0.80 BACE1 (0.48) BACE1
SCHEMBL287217 0.80 BACE1 (0.75) BACE1RENCTSD
SCHEMBL298086 0.79 BACE1 (0.55) BACE1
SCHEMBL298202 0.78 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL298007 0.77 BACE1 (0.60) BACE1BACE2
SCHEMBL2885533 0.76 BACE1 (0.53) BACE1RENCTSDBACE2
SCHEMBL296955 0.76 BACE1 (0.55) BACE1CTSD
SCHEMBL297214 0.76 BACE1 (0.55) BACE1

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-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed