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Sugi Predict / Compounds / SCHEMBL5579606

SCHEMBL5579606

SCHEMBL5579606

CCCN(CCC)C(=O)c1cc(C(=O)N(C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)C2(c3cc(CC(C)C)no3)CC2)cc(-c2ncco2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.46
▸ BACE2 Q9Y5Z0 8/20 0.35
▸ CTSD P07339 2/20 0.32

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
SCHEMBL5117681 0.88 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL5116488 0.88 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL5120609 0.84 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL5126710 0.84 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL5130399 0.81 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL5579784 0.81 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL3355535 0.79 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL5124653 0.78 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL5125021 0.77 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL5124654 0.76 BACE1 (0.47) BACE1BACE2CTSD

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