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SCHEMBL5579787

SCHEMBL5579787

C#Cc1cccc(C2(NC[C@@H](OC(=O)[C@@H](CS(=O)(=O)CCCC)NC(=O)c3cc(C)n[nH]3)[C@@H](N)Cc3cc(F)cc(F)c3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.41
▸ CTSB P07858 15/20 0.41
▸ CTSD P07339 2/20 0.35

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
SCHEMBL5579826 0.92 BACE1 (0.48) BACE1CTSBCTSD
SCHEMBL5579833 0.90 BACE1 (0.41) BACE1CTSBCTSD
SCHEMBL5579970 0.88 CTSB (0.51) BACE1CTSB
SCHEMBL14348121 0.86 BACE1 (0.55) BACE1CTSBCTSD
SCHEMBL5579914 0.84 BACE1 (0.36) BACE1CTSBCTSD
SCHEMBL4664428 0.82 BACE1 (0.49) BACE1CTSBCTSD
SCHEMBL5647762 0.82 BACE1 (0.49) BACE1CTSBCTSD
SCHEMBL14131487 0.81 BACE1 (0.42) BACE1CTSB
SCHEMBL5579534 0.81 CTSB (0.60) BACE1CTSB
SCHEMBL5579658 0.79 CTSB (0.53) 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-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US claimed