SCHEMBL9848689

SCHEMBL9848689

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

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.53
BACE1 P56817 13/20 0.52
BACE2 Q9Y5Z0 5/20 0.52
CTSD P07339 1/20 0.48

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
SCHEMBL9848680 0.92 OPRD1 (0.55) OPRD1BACE1BACE2CTSD
SCHEMBL9848690 0.88 OPRD1 (0.62) OPRD1BACE1BACE2CTSD
SCHEMBL8837262 0.88 BACE1 (0.61) OPRD1BACE1BACE2CTSD
SCHEMBL8837270 0.88 BACE1 (0.61) OPRD1BACE1BACE2CTSD
SCHEMBL9848664 0.87 OPRD1 (0.61) OPRD1BACE1BACE2CTSD
SCHEMBL9848647 0.86 OPRD1 (0.56) OPRD1BACE1BACE2CTSD
SCHEMBL8332105 0.85 FOLH1 (0.58) OPRD1BACE1BACE2
SCHEMBL8332107 0.85 FOLH1 (0.58) OPRD1BACE1BACE2
SCHEMBL32681297 0.85 FOLH1 (0.60) OPRD1BACE1BACE2
SCHEMBL31720928 0.85 FOLH1 (0.60) OPRD1BACE1BACE2

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