Sugi Predict

Sugi Predict / Compounds / SCHEMBL5415528

SCHEMBL5415528

SCHEMBL5415528

C#Cc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N(CCC)CCC)cc(S(=O)(=O)NC(C)(C)CO)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.63
▸ CTSD P07339 3/20 0.63
▸ BACE2 Q9Y5Z0 3/20 0.61

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
SCHEMBL5374642 0.92 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL5384042 0.90 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL3351340 0.90 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL3352382 0.88 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL3353995 0.87 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL7606031 0.87 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL3355818 0.85 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL5421363 0.83 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL3904827 0.83 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL7650532 0.83 BACE1 (0.68) 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-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US claimed