SCHEMBL8282483

SCHEMBL8282483

CC(C)(C)c1cccc(C2(NC[C@@H](O)[C@@H](N)Cc3cc(F)cc(F)c3)CCC(O)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
CTSD P07339 18/20 0.74

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
SCHEMBL5736565 0.93 BACE1 (0.64) BACE1CTSD
SCHEMBL8282794 0.93 BACE1 (0.64) BACE1CTSD
SCHEMBL5666464 0.91 BACE1 (0.75) BACE1CTSD
SCHEMBL8281555 0.91 BACE1 (0.75) BACE1CTSD
SCHEMBL2877502 0.90 BACE1 (0.73) BACE1CTSD
SCHEMBL8281586 0.90 BACE1 (0.73) BACE1CTSD
Methylamine SCHEMBL5736229 0.89 BACE1 (0.72) BACE1CTSD
Hydrochloric Acid SCHEMBL2875561 0.89 BACE1 (0.72) BACE1CTSD
SCHEMBL8282633 0.88 BACE1 (0.77) BACE1CTSD
SCHEMBL5737079 0.88 BACE1 (0.74) 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
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
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed