SCHEMBL8205688

SCHEMBL8205688

CC#CCN1CC[C@@]2(C[C@@H]1C)C(N1CCC(CCC)C1)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.35
BACE1 P56817 9/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL3493674 0.92 BPTF (0.36) BPTFBACE1
SCHEMBL3493671 0.92 BPTF (0.36) BPTFBACE1
SCHEMBL3494776 0.90 BACE1 (0.34) BPTFBACE1
SCHEMBL3494781 0.90 BACE1 (0.34) BPTFBACE1
SCHEMBL3495713 0.90 BACE1 (0.37) BPTFBACE1
SCHEMBL3495716 0.90 BACE1 (0.37) BPTFBACE1
SCHEMBL16502188 0.89 BACE1 (0.33) BPTFBACE1
SCHEMBL3495684 0.87 BACE1 (0.32) BPTFBACE1
SCHEMBL3492093 0.87 BACE1 (0.35) BPTFBACE1GRM2
SCHEMBL3495688 0.87 BACE1 (0.32) BPTFBACE1

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
WO-2008054698-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-05-08 WO disclosed