SCHEMBL8243045

SCHEMBL8243045

C=C(NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(-n3cccn3)c2)CC1C(C)C)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
CTSD P07339 12/20 0.60

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
SCHEMBL14498145 0.92 BACE1 (0.64) BACE1CTSD
SCHEMBL8242373 0.90 BACE1 (0.60) BACE1CTSD
SCHEMBL4697618 0.89 BACE1 (0.75) BACE1CTSD
SCHEMBL4790597 0.88 BACE1 (0.66) BACE1CTSD
SCHEMBL4699465 0.84 BACE1 (0.56) BACE1CTSD
SCHEMBL5579056 0.82 BACE1 (0.64) BACE1CTSD
SCHEMBL8240198 0.81 BACE1 (0.59) BACE1CTSD
SCHEMBL4702452 0.81 BACE1 (0.79) BACE1CTSD
SCHEMBL4701429 0.81 BACE1 (0.79) BACE1CTSD
SCHEMBL8242860 0.81 BACE1 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed