SCHEMBL27779802

SCHEMBL27779802

CN1C(=O)[C@](c2ccc(OC(F)F)c(CN)c2)(c2ccc(F)c(OCCC(F)F)c2)N=C1N

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.68
CTSD P07339 6/20 0.67
BACE2 Q9Y5Z0 6/20 0.67
REN P00797 5/20 0.67
APP P05067 2/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL27801185 1.00 BACE1 (0.68) BACE1CTSDBACE2RENAPP
SCHEMBL28785990 1.00 BACE1 (0.68) BACE1CTSDBACE2RENAPP
SCHEMBL4304466 0.95 BACE1 (0.69) BACE1CTSDBACE2RENAPP
SCHEMBL4306180 0.95 BACE1 (0.69) BACE1CTSDBACE2RENAPP
SCHEMBL4304559 0.95 BACE1 (0.69) BACE1CTSDBACE2RENAPP
SCHEMBL27780060 0.92 BACE1 (0.69) BACE1CTSDBACE2RENAPP
SCHEMBL27779787 0.92 BACE1 (0.69) BACE1CTSDBACE2RENAPP
SCHEMBL4309803 0.89 BACE1 (0.83) BACE1CTSDBACE2RENAPP
SCHEMBL4306052 0.89 BACE1 (0.83) BACE1CTSDBACE2RENAPP
SCHEMBL4312394 0.89 BACE1 (0.83) BACE1CTSDBACE2RENAPP

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
CN-101641335-A Amino-5-[substituted-4-(difluoromethoxy)phenyl]-5- phenylimidazolone compounds as ss-secretase inhibitors WYETH CORP US 2010-02-03 CN claimed
CN-101641335-A Amino-5-[substituted-4-(difluoromethoxy)phenyl]-5- phenylimidazolone compounds as ss-secretase inhibitors WYETH CORP US 2010-02-03 CN disclosed