SCHEMBL5737515

SCHEMBL5737515

CC1CCCC(NCC(O)C(CC(N)=O)Cc2cc(F)cc(F)c2)(c2cccc(C(C)(C)C)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.61
CTSD P07339 16/20 0.61

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
SCHEMBL5797478 0.91 BACE1 (0.72) BACE1CTSD
SCHEMBL5797473 0.91 BACE1 (0.72) BACE1CTSD
SCHEMBL5736581 0.88 BACE1 (0.74) BACE1CTSD
SCHEMBL5666908 0.87 BACE1 (0.62) BACE1CTSD
SCHEMBL8283494 0.87 BACE1 (0.62) BACE1CTSD
SCHEMBL5669863 0.85 BACE1 (0.85) BACE1CTSD
SCHEMBL8282808 0.85 BACE1 (0.85) BACE1CTSD
SCHEMBL5734632 0.85 BACE1 (0.74) BACE1CTSD
SCHEMBL6512932 0.85 BACE1 (0.59) BACE1CTSD
SCHEMBL5668467 0.83 BACE1 (0.59) 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