Sugi Predict

Sugi Predict / Compounds / SCHEMBL14578024

SCHEMBL14578024

SCHEMBL14578024

CCCC(CCC)S(=O)(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.65
▸ CTSB P07858 13/20 0.65
▸ CTSD P07339 2/20 0.61
▸ BACE2 Q9Y5Z0 1/20 0.51

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
SCHEMBL3349375 0.92 CTSB (0.72) BACE1CTSB
SCHEMBL3349379 0.92 CTSB (0.72) BACE1CTSB
SCHEMBL13308321 0.92 BACE1 (0.64) BACE1CTSBCTSD
SCHEMBL14348044 0.80 BACE1 (0.80) BACE1CTSBCTSD
SCHEMBL3355477 0.80 BACE1 (0.80) BACE1CTSBCTSD
SCHEMBL3355473 0.80 BACE1 (0.80) BACE1CTSBCTSD
SCHEMBL14347981 0.79 BACE1 (1.00) BACE1CTSBCTSD
SCHEMBL13308298 0.79 BACE1 (1.00) BACE1CTSBCTSD
SCHEMBL6699647 0.79 BACE1 (1.00) BACE1CTSBCTSD
SCHEMBL14347774 0.79 BACE1 (1.00) BACE1CTSBCTSD

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