SCHEMBL7353577

SCHEMBL7353577

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
BACE1 P56817 8/20 0.33
CTSD P07339 6/20 0.33
CCR1 P32246 3/20 0.33
PSMB5 P28074 3/20 0.33
BACE2 Q9Y5Z0 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL7360716 0.90 BACE1 (0.36) RENBACE1CTSDCCR1
SCHEMBL8840299 0.85 BACE1 (0.40) RENBACE1
SCHEMBL7353583 0.84 BACE1 (0.37) RENBACE1CTSDPSMB5BACE2
SCHEMBL8899924 0.77 BACE1 (0.36) RENBACE1CTSD
SCHEMBL7360719 0.76 BACE1 (0.36) RENBACE1CTSDBACE2
SCHEMBL7357186 0.75 NPC1 (0.37) REN
SCHEMBL9240630 0.75 NPC1 (0.37) REN
SCHEMBL7395360 0.75 NPC1 (0.37) REN
SCHEMBL8897311 0.74 REN (0.38) REN
SCHEMBL8897322 0.74 REN (0.38) REN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614522-A SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS G.D. SEARLE & CO. (US) 1997-03-25 US disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed