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Sugi Predict / Compounds / SCHEMBL5579564

SCHEMBL5579564

SCHEMBL5579564

CCCN(CCC)C(=O)c1cc(C(=O)N(Cc2cccc(CC)c2)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc(S(=O)(=O)N2CCC[C@H]2CO)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.43
▸ CTSD P07339 2/20 0.43
▸ BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL5116532 0.86 BACE1 (0.47) BACE1CTSD
Hydrochloric Acid SCHEMBL5579913 0.85 BACE1 (0.47) BACE1CTSD
SCHEMBL5579446 0.84 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL5579807 0.84 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL5579813 0.84 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL5129916 0.82 BACE1 (0.50) BACE1CTSDBACE2
SCHEMBL6705244 0.82 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL6699763 0.82 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL5124465 0.81 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL5122236 0.80 BACE1 (0.48) BACE1CTSDBACE2

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
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US claimed