Sugi Predict

Sugi Predict / Compounds / SCHEMBL7942893

SCHEMBL7942893

SCHEMBL7942893

CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](COc2cc(F)cc(F)c2)[C@@H](O)CCNCc2cccc(C(F)(F)F)c2)cc(N(C)CC2C[C@@H]2C)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.55
▸ CTSD P07339 5/20 0.41
▸ BACE2 Q9Y5Z0 5/20 0.41

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
SCHEMBL7938124 0.94 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL7943468 0.91 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL7944611 0.91 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL7945875 0.88 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL7945877 0.88 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL7946201 0.85 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL7950186 0.84 BACE1 (0.63) BACE1
SCHEMBL7937014 0.84 BACE1 (0.63) BACE1
SCHEMBL7947060 0.82 BACE1 (0.56) BACE1
SCHEMBL7945097 0.82 BACE1 (0.56) 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
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 — — WO disclosed