SCHEMBL5736658

SCHEMBL5736658

C#Cc1csc(C2(NCC(O)C(CC(N)=O)Cc3cc(F)cc(F)c3)CCCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.71
CTSD P07339 12/20 0.71

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
SCHEMBL5667091 0.86 BACE1 (0.71) BACE1CTSD
SCHEMBL5667795 0.83 BACE1 (1.00) BACE1CTSD
SCHEMBL5735374 0.80 BACE1 (0.54) BACE1CTSD
SCHEMBL5735885 0.79 BACE1 (0.55) BACE1CTSD
SCHEMBL8282555 0.78 BACE1 (0.64) BACE1CTSD
SCHEMBL5736519 0.77 BACE1 (0.53) BACE1CTSD
SCHEMBL5735925 0.76 BACE1 (0.44) BACE1CTSD
SCHEMBL5670840 0.73 BACE1 (0.57) BACE1CTSD
SCHEMBL5797473 0.72 BACE1 (0.72) BACE1CTSD
SCHEMBL5797478 0.72 BACE1 (0.72) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed