SCHEMBL9848648

SCHEMBL9848648

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@](C)(N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.48
BACE2 Q9Y5Z0 4/20 0.47
OPRD1 P41143 1/20 0.45
CTSD P07339 2/20 0.43
FOLH1 Q04609 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42

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
SCHEMBL9848652 0.93 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL9848658 0.84 BACE1 (0.53) BACE1BACE2OPRD1CTSDFOLH1
SCHEMBL9848690 0.84 OPRD1 (0.62) BACE1BACE2OPRD1CTSD
SCHEMBL9848664 0.83 OPRD1 (0.61) BACE1BACE2OPRD1CTSD
SCHEMBL9848681 0.82 BACE1 (0.53) BACE1BACE2OPRD1CTSDFOLH1
SCHEMBL9848623 0.81 OPRD1 (0.47) BACE1BACE2OPRD1CTSDFOLH1
SCHEMBL9848616 0.80 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL9848695 0.79 BACE1 (0.50) BACE1BACE2OPRD1CTSDFOLH1
SCHEMBL9848651 0.78 BACE1 (0.50) BACE1BACE2OPRD1CTSDFOLH1
SCHEMBL9848624 0.77 OPRD1 (0.51) BACE1BACE2OPRD1CTSD

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-0438873-A1 Inhibitor of ribonucleotide reductase of herpes viruses MERCK & CO. INC. (US) 1991-07-31 EP disclosed