SCHEMBL5735283

SCHEMBL5735283

Cc1cc(C(C)(C)C)cc(C2(NCC(O)C(Cc3cc(F)cc(F)c3)NC(=O)O)CCCCC2)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.88
CTSD P07339 17/20 0.88

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
SCHEMBL8283931 0.94 BACE1 (1.00) BACE1CTSD
SCHEMBL5666699 0.94 BACE1 (1.00) BACE1CTSD
SCHEMBL5666356 0.91 BACE1 (0.84) BACE1CTSD
SCHEMBL5736368 0.89 BACE1 (0.87) BACE1CTSD
SCHEMBL6041016 0.87 BACE1 (1.00) BACE1CTSD
SCHEMBL5672247 0.87 BACE1 (1.00) BACE1CTSD
SCHEMBL8281474 0.85 BACE1 (0.73) BACE1CTSD
SCHEMBL8282550 0.85 BACE1 (1.00) BACE1CTSD
SCHEMBL5666264 0.85 BACE1 (1.00) BACE1CTSD
SCHEMBL5666486 0.85 BACE1 (0.88) 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