Sugi Predict

Sugi Predict / Compounds / SCHEMBL5373672

SCHEMBL5373672

SCHEMBL5373672

CCc1cccc(CNC[C@@H](OC(=O)C(F)(F)F)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC(C)C)NC(=O)O[C@H]2CCOC2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 18/20 0.47
▸ BACE1 P56817 18/20 0.47
▸ CTSL P07711 2/20 0.40
▸ CTSS P25774 2/20 0.40

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
SCHEMBL3350368 0.89 CTSB (0.58) CTSBBACE1
SCHEMBL3353305 0.88 CTSB (0.61) CTSBBACE1
SCHEMBL5379728 0.88 CTSB (0.61) CTSBBACE1
SCHEMBL5369018 0.88 CTSB (0.61) CTSBBACE1
SCHEMBL3352221 0.88 CTSB (0.61) CTSBBACE1
SCHEMBL3350571 0.88 CTSB (0.61) CTSBBACE1
SCHEMBL4666286 0.84 CTSB (0.63) CTSBBACE1
Trifluoroacetic Acid SCHEMBL3352214 0.78 BACE1 (0.72) CTSBBACE1
Trifluoroacetic Acid SCHEMBL3353300 0.78 BACE1 (0.72) CTSBBACE1
Trifluoroacetic Acid SCHEMBL3350565 0.78 BACE1 (0.72) CTSBBACE1

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