Sugi Predict

Sugi Predict / Compounds / SCHEMBL3375260

SCHEMBL3375260

SCHEMBL3375260

CCC(Cn1nc(C)cc1C)C(=O)NN(CCC(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NC(C(=O)NCC(F)(F)F)C(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.55
▸ CTSD P07339 2/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.44

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
SCHEMBL4908734 0.92 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL3377069 0.92 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL3375611 0.88 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL3377037 0.86 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL3375979 0.85 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL4905090 0.85 BACE1 (0.70) BACE1CTSDBACE2
SCHEMBL4912782 0.84 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL3375250 0.83 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL3375254 0.83 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL3373062 0.83 BACE1 (0.60) 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-7659289-B2 Hydroxyethylene-based β-secretase inhibitors and use thereof COMENTIS, INC. (US) 2010-02-09 — — US claimed