SCHEMBL5496815

SCHEMBL5496815

CC(C)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.59
PSMB1 P20618 1/20 0.56
PSMB5 P28074 1/20 0.56
PSMB2 P49721 1/20 0.56
BACE1 P56817 9/20 0.55
ANPEP P15144 1/20 0.55
BACE2 Q9Y5Z0 1/20 0.51

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
SCHEMBL1913895 0.86 BACE1 (0.57) CTSDBACE1BACE2
SCHEMBL29601744 0.86 BACE1 (0.60) CTSDBACE1BACE2
SCHEMBL30130747 0.84 BACE1 (0.62) CTSDBACE1BACE2
SCHEMBL10790323 0.84 BACE1 (0.60) CTSDBACE1BACE2
SCHEMBL30051333 0.84 BACE1 (0.58) CTSDBACE1
SCHEMBL7323888 0.83 FCER2 (0.58) CTSDBACE1BACE2
SCHEMBL30872253 0.82 BACE1 (0.65) CTSDBACE1BACE2
Hydrochloric Acid SCHEMBL8615559 0.82 MMP8 (0.59) PSMB1PSMB5PSMB2ANPEP
SCHEMBL14341926 0.82 BACE1 (0.62) CTSDBACE1BACE2
SCHEMBL8614468 0.82 MMP8 (0.61) PSMB1PSMB5PSMB2ANPEP

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-1346041-B1 THERAPEUTIC AGENTS AND METHODS OF USE THEREOF FOR TREATING AN AMYLOIDOGENIC DISEASE PRAECIS PHARM INC (US) 2007-02-28 EP claimed