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Sugi Predict / Compounds / SCHEMBL5378373

SCHEMBL5378373

SCHEMBL5378373

CCc1cccc(CNC[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC([S+](C)[O-])C(C)(C)C)NC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.56
▸ CTSB P07858 17/20 0.56
▸ CTSD P07339 2/20 0.56

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
SCHEMBL6696491 0.87 BACE1 (0.61) BACE1CTSBCTSD
SCHEMBL6696485 0.87 BACE1 (0.61) BACE1CTSBCTSD
SCHEMBL3351683 0.82 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL3351689 0.82 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL4666836 0.82 BACE1 (0.65) BACE1CTSBCTSD
SCHEMBL4665171 0.82 BACE1 (0.65) BACE1CTSBCTSD
SCHEMBL4665177 0.82 BACE1 (0.65) BACE1CTSBCTSD
SCHEMBL4666862 0.81 BACE1 (0.65) BACE1CTSBCTSD
SCHEMBL4666867 0.81 BACE1 (0.65) BACE1CTSBCTSD
SCHEMBL4664477 0.80 CTSB (0.69) BACE1CTSB

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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed