SCHEMBL30460370

SCHEMBL30460370

NC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.60
CTSD P07339 1/20 0.55
BACE2 Q9Y5Z0 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL29590787 0.98 BACE1 (0.60) BACE1CTSDBACE2NAALAD2
SCHEMBL29630505 0.97 BACE1 (0.58) BACE1CTSDBACE2NAALAD2
SCHEMBL29695561 0.95 BACE1 (0.65) BACE1CTSDBACE2NAALAD2
SCHEMBL29592259 0.93 BACE1 (0.61) BACE1CTSDBACE2NAALAD2
SCHEMBL31366242 0.93 BACE1 (0.54) BACE1CTSDNAALAD2
SCHEMBL31474554 0.93 BACE1 (0.56) BACE1CTSDBACE2NAALAD2
SCHEMBL30799492 0.93 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL29725302 0.92 BACE1 (0.54) BACE1CTSD
SCHEMBL31094953 0.92 NAALAD2 (0.60) BACE1CTSDBACE2NAALAD2
SCHEMBL30974353 0.92 BACE1 (0.68) BACE1CTSDBACE2NAALAD2

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
EP-3592840-B1 CULTURE MEDIUM COMPRISING DIPEPTIDES EVONIK OPERATIONS GMBH (DE) 2023-05-31 EP disclosed