Sugi Predict

Sugi Predict / Compounds / SCHEMBL5369029

SCHEMBL5369029

SCHEMBL5369029

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNC2C[C@@H](C(=O)OC)C[C@@H](C(=O)OC)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.65
▸ BACE2 Q9Y5Z0 6/20 0.64
▸ CTSD P07339 2/20 0.61
▸ CTSE P14091 1/20 0.60

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
SCHEMBL3348861 0.92 BACE1 (0.68) BACE1BACE2CTSDCTSE
SCHEMBL5344727 0.91 BACE1 (0.69) BACE1BACE2CTSDCTSE
SCHEMBL5342154 0.89 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL5344304 0.88 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL3358845 0.87 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL5377651 0.87 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL5374609 0.86 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL5369229 0.85 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL3354376 0.84 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL3349588 0.83 BACE1 (0.65) BACE1BACE2CTSDCTSE

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