SCHEMBL13804642

SCHEMBL13804642

CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(S)CNC1CS(=O)(=O)Cc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.68
CTSD P07339 18/20 0.68

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
SCHEMBL3502074 0.92 BACE1 (0.79) BACE1CTSD
SCHEMBL6325893 0.92 BACE1 (0.79) BACE1CTSD
SCHEMBL13804634 0.89 BACE1 (0.65) BACE1CTSD
SCHEMBL13804643 0.89 BACE1 (0.86) BACE1CTSD
SCHEMBL4265272 0.83 BACE1 (0.65) BACE1CTSD
SCHEMBL13804644 0.83 BACE1 (0.65) BACE1CTSD
SCHEMBL4265275 0.83 BACE1 (0.65) BACE1CTSD
SCHEMBL6325889 0.83 BACE1 (0.66) BACE1CTSD
SCHEMBL3502070 0.83 BACE1 (0.66) BACE1CTSD
SCHEMBL3502078 0.83 BACE1 (0.66) BACE1CTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed